SCHEMBL9996994

SCHEMBL9996994

Cc1nc(N2CCOCC2)ccc1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.48
KMT2A Q03164 5/20 0.46
ALDH1A1 P00352 6/20 0.46
MEN1 O00255 3/20 0.46
HSD17B10 Q99714 3/20 0.46
ALOX15 P16050 2/20 0.46
TSHR P16473 2/20 0.46
USP2 O75604 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
GAA P10253 5/20 0.45
KDM4E B2RXH2 3/20 0.45
HTT P42858 3/20 0.45
HPGD P15428 3/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
RECQL P46063 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CRHBP P24387 1/20 0.45

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
SCHEMBL9996944 0.84 L3MBTL1 (0.44) SMN1; SMN2KMT2AALDH1A1CYP1A2GAA
SCHEMBL17531163 0.82 ALDH1A1 (0.50) SMN1; SMN2KMT2AALDH1A1MEN1HSD17B10
SCHEMBL15228263 0.81 HTR3A (0.54) ALDH1A1CYP1A2KDM4E
SCHEMBL21815418 0.79 HTR3E (0.50) ALDH1A1HSD17B10USP2CYP1A2KDM4E
SCHEMBL1912050 0.79 CRHBP (0.53) SMN1; SMN2KMT2AALDH1A1MEN1HSD17B10
SCHEMBL25333250 0.79 GAA (0.45) SMN1; SMN2KMT2AALDH1A1MEN1HSD17B10
SCHEMBL31195879 0.79 GAA (0.45) SMN1; SMN2KMT2AALDH1A1MEN1HSD17B10
SCHEMBL15300930 0.79 OGA (0.54) SMN1; SMN2KMT2AALDH1A1MEN1HSD17B10
Hydrochloric Acid SCHEMBL15515817 0.78 HTR3E (0.49) ALDH1A1HSD17B10USP2CYP1A2KDM4E
SCHEMBL12946112 0.76 CNR2 (0.50) SMN1; SMN2KMT2AALDH1A1MEN1HSD17B10

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4676927-A1 HETEROCYCLIC COMPOUNDS AS WRN INHIBITORS Synnovation Therapeutics, Inc. (US) 2026-01-14 EP disclosed
WO-2024187049-A1 HETEROCYCLIC COMPOUNDS AS WRN INHIBITORS SYNNOVATION THERAPEUTICS, INC. (US) 2024-09-12 WO disclosed
EP-2909212-B1 SUBSTITUTED 1,4-DIHYDROPYRAZOLO[4,3-B]INDOLES TAKEDA PHARMACEUTICALS CO (JP) 2017-02-22 EP disclosed
US-9555022-B2 Substituted triazolopyridines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-01-31 US disclosed
US-9475816-B2 Substituted-1,4-dihydropyrazolo[4,3-b]indoles TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-10-25 US disclosed
US-9434743-B2 Indazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-09-06 US disclosed
EP-2909212-A1 SUBSTITUTED-1,4-DIHYDROPYRAZOLO[4,3-b]INDOLES Takeda Pharmaceutical Company Limited (JP) 2015-08-26 EP disclosed
US-20150225405-A1 SUBSTITUTED-1,4-DIHYDROPYRAZOLO[4,3-b]INDOLES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-08-13 US disclosed
US-20150005232-A1 INDAZOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (US) 2015-01-01 US disclosed
WO-2014039831-A1 SUBSTITUTED-1,4-DIHYDROPYRAZOLO[4,3-b]INDOLES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-13 WO disclosed
WO-2013130855-A1 INDAZOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-09-06 WO disclosed
US-20130156756-A1 Substituted Triazolopyridines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-20 US disclosed
EP-2582699-A1 SUBSTITUTED TRIAZOLOPYRIDINES Bayer Intellectual Property GmbH (DE) 2013-04-24 EP disclosed
WO-2011157688-A1 SUBSTITUTED TRIAZOLOPYRIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-22 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 (3 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-20130156756-A1 Substituted Triazolopyridines CCND2, CCND1, QDPR SMN1; SMN2 188/4885KMT2A 3323/4885ALDH1A1 847/4885
US-20150005232-A1 INDAZOLE DERIVATIVES GPR119, INSR, INSRR SMN1; SMN2 1621/4885KMT2A 2530/4885ALDH1A1 511/4885
US-20150225405-A1 SUBSTITUTED-1,4-DIHYDROPYRAZOLO[4,3-b]INDOLES GPR119, RPLP2, FOXM1 SMN1; SMN2 1529/4885KMT2A 1744/4885ALDH1A1 433/4885

“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.