SCHEMBL1016310

SCHEMBL1016310

Brc1cccc(-c2nnco2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 10/20 0.64
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
TSHR P16473 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
TP53 P04637 1/20 0.56
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
ALDH1A1 P00352 3/20 0.54
CYP1A2 P05177 1/20 0.54
KDM4E B2RXH2 3/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 2/20 0.46
PPARG P37231 1/20 0.46
NCOA2 Q15596 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21795694 0.86 NOTUM (0.75) NOTUMALDH1A1KDM4EGAAHPGD
SCHEMBL28305166 0.84 NOTUM (0.58) NOTUMNPC1RAB9ATSHRMEN1
SCHEMBL11232897 0.79 NOTUM (0.74) NOTUMALDH1A1KDM4EGAAHPGD
SCHEMBL859977 0.78 NOTUM (0.64) NOTUMALDH1A1KDM4EHPGDMAPK1
SCHEMBL21776860 0.78 NOTUM (1.00) NOTUMNPC1RAB9ATSHRSMN1; SMN2
SCHEMBL23451501 0.78 NOTUM (1.00) NOTUMALDH1A1KDM4EHPGDMAPK1
SCHEMBL31291162 0.78 NOTUM (0.64) NOTUMALDH1A1KDM4EHPGDMAPK1
SCHEMBL942003 0.78 NOTUM (0.64) NOTUMALDH1A1KDM4EGAAHPGD
SCHEMBL3794714 0.78 NOTUM (0.64) NOTUMNPC1RAB9ATSHRSMN1; SMN2
SCHEMBL3809272 0.78 NOTUM (0.64) NOTUMALDH1A1KDM4EGAAHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4667458-A1 PHARMACEUTICAL COMPOSITION FOR TREATMENT OF CANCER, COMPRISING SOS1 INHIBITOR AND ANTICANCER DRUG Kanaph Therapeutics Inc. (KR) 2025-12-24 EP disclosed
US-12454525-B2 IL4I1 inhibitors and methods of use MERCK SHARP & DOHME LLC (US) 2025-10-28 US disclosed
CN-115836054-B IL4I1 inhibitors and methods of use 默沙东有限责任公司 2024-12-10 CN disclosed
US-20240400518-A1 SOS1 INHIBITOR AND USE THEREOF CYRUS THERAPEUTICS INC. (KR) 2024-12-05 US disclosed
WO-2024172631-A1 PHARMACEUTICAL COMPOSITION FOR TREATMENT OF CANCER, COMPRISING SOS1 INHIBITOR AND ANTICANCER DRUG 주식회사 카나프테라퓨틱스 2024-08-22 WO disclosed
EP-4389738-A1 SOS1 INHIBITOR AND USE THEREOF Kanaph Therapeutics Inc. (KR) 2024-06-26 EP disclosed
CN-118119600-A SOS1 inhibitors and uses thereof 治纳辅医药科技有限公司 2024-05-31 CN disclosed
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist RAQUALIA PHARMA INC. (JP) 2023-10-31 US disclosed
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist RAQUALIA PHARMA INC. (JP) 2023-10-31 US disclosed
US-20230183214-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC 2023-06-15 US disclosed
US-20140200213-A1 2-SPIRO-SUBSTITUTED IMINOTHIAZINES AND THEIR MONO-AND DIOXIDES AS BACE INHIBITORS, COMPOSITIONS AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2014-07-17 US disclosed
US-20140128382-A1 5-SUBSTITUTED IMINOTHIAZINES AND THEIR MONO- AND DIOXIDES AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME LLC 2014-05-08 US disclosed
US-20140128382-A1 5-SUBSTITUTED IMINOTHIAZINES AND THEIR MONO- AND DIOXIDES AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME LLC 2014-05-08 US disclosed
US-8475939-B2 m-terphenyl compound derivatives and application for organic light emitting diode NATIONAL TSING HUA UNIVERSITY (TW) 2013-07-02 US disclosed
WO-2013028670-A1 2-SPIRO-SUBSTITUTED IMINOTHIAZINES AND THEIR MONO-AND DIOXIDES AS BACE INHIBITORS, COMPOSITIONS AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2013-02-28 WO disclosed
WO-2012139425-A1 5-SUBSTITUTED IMINOTHIAZINES AND THEIR MONO-AND DIOXIDES AS BACE INHIBITORS,COMPOSITIONS,AND THEIR USE SCHERING CORPORATION (US) 2012-10-18 WO disclosed
US-20110220880-A1 m-TERPHENYL COMPOUND DERIVATIVES AND APPLICATION FOR ORGANIC LIGHT EMITTING DIODE E INK HOLDINGS INC. (TW) 2011-09-15 US disclosed
EP-2271649-A1 BRIDGED, BICYCLIC HETEROCYCLIC OR SPIRO BICYCLIC HETEROCYCLIC DERIVATIVES OF PYRAZOLO[1,5-A]PYRIMIDINES, METHODS FOR PREPARATION AND USES THEREOF Wyeth LLC (US) 2011-01-12 EP disclosed
US-20100029657-A1 Bridged, Bicyclic Heterocyclic or Spiro Bicyclic Heterocyclic Derivatives of Pyrazolo[1, 5-A]Pyrimidines, Methods for Preparation and Uses Thereof WYETH (US) 2010-02-04 US disclosed
WO-2009108838-A1 BRIDGED, BICYCLIC HETEROCYCLIC OR SPIRO BICYCLIC HETEROCYCLIC DERIVATIVES OF PYRAZOLO[1,5-A]PYRIMIDINES, METHODS FOR PREPARATION AND USES THEREOF WYETH (US) 2009-09-03 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230183214-A1 IL4I1 INHIBITORS AND METHODS OF USE IL4I1, IL4, IL2 NOTUM 3471/4885NPC1 657/4885RAB9A 3126/4885
US-20110220880-A1 m-TERPHENYL COMPOUND DERIVATIVES AND APPLICATION FOR ORGANIC LIGHT EMITTING DIODE CLTB, CYBA, C5 NOTUM 3944/4885NPC1 425/4885RAB9A 2484/4885
US-20100029657-A1 Bridged, Bicyclic Heterocyclic or Spiro Bicyclic Heterocyclic Derivatives of Pyrazolo[1, 5-A]Pyrimidines, Methods for Preparation and Uses Thereof BRAF, RAF1, ARAF NOTUM 3956/4885NPC1 3259/4885RAB9A 595/4885
US-20240400518-A1 SOS1 INHIBITOR AND USE THEREOF SOS1, RAC1, SOS2 NOTUM 2451/4885NPC1 1050/4885RAB9A 57/4885
US-20140200213-A1 2-SPIRO-SUBSTITUTED IMINOTHIAZINES AND THEIR MONO-AND DIOXIDES AS BACE INHIBITORS, COMPOSITIONS AND THEIR USE BACE2, BACE1, APP NOTUM 2239/4885NPC1 158/4885RAB9A 3226/4885
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist CRHR2, CRHR1, CRH NOTUM 4529/4885NPC1 2391/4885RAB9A 2868/4885
US-20140128382-A1 5-SUBSTITUTED IMINOTHIAZINES AND THEIR MONO- AND DIOXIDES AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE BACE1, BACE2, PSEN1 NOTUM 568/4885NPC1 278/4885RAB9A 3156/4885
US-12454525-B2 IL4I1 inhibitors and methods of use IL4I1, IL4, IL2 NOTUM 3471/4885NPC1 657/4885RAB9A 3126/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.