SCHEMBL4160892

SCHEMBL4160892

CSc1nc2ccccc2n1C

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.75
POLB P06746 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.57
MAPT P10636 4/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
HTT P42858 3/20 0.53
ALOX15 P16050 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP2D6 P10635 1/20 0.50
ALDH1A1 P00352 2/20 0.49
LMNA P02545 2/20 0.49
MITF O75030 1/20 0.49
TP53 P04637 1/20 0.49
CYP2C9 P11712 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
PKM P14618 1/20 0.49

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
SCHEMBL17153801 0.86 ATM (0.78) ATMPOLBSMN1; SMN2MAPTNPC1
SCHEMBL9480741 0.82 ATM (0.72) ATMPOLBSMN1; SMN2MAPTNPC1
SCHEMBL8363505 0.79 ATM (0.68) ATMPOLBSMN1; SMN2MAPTNPC1
SCHEMBL12500188 0.79 POLB (0.69) ATMPOLBSMN1; SMN2MAPTNPC1
SCHEMBL12410807 0.79 ATM (0.68) ATMPOLBSMN1; SMN2MAPTNPC1
SCHEMBL8362187 0.78 NPC1 (0.58) ATMPOLBSMN1; SMN2MAPTNPC1
SCHEMBL28589086 0.78 ATM (0.66) ATMPOLBSMN1; SMN2MAPTNPC1
SCHEMBL4967076 0.77 ATM (0.64) ATMPOLBSMN1; SMN2MAPTNPC1
SCHEMBL7726932 0.76 HSD17B10 (0.53) ATMPOLBSMN1; SMN2MAPTNPC1
SCHEMBL21041642 0.76 ATM (0.53) ATMPOLBSMN1; SMN2MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912723-B2 KRAS modulators and uses thereof QUANTA THERAPEUTICS, INC. (US) 2024-02-27 US disclosed
US-20230374042-A1 KRAS MODULATORS AND USES THEREOF QUANTA THERAPEUTICS, INC. 2023-11-23 US disclosed
US-11641858-B2 Agricultural chemicals REDAG CROP PROTECTION LTD. (GB) 2023-05-09 US disclosed
US-10870624-B2 Histone deacetylase inhibitors KARUS THERAPEUTICS LIMITED (GB) 2020-12-22 US disclosed
US-20180170876-A1 NOVEL HISTONE DEACETYLASE INHIBITORS KARUS THERAPEUTICS LIMITED (GB) 2018-06-21 US disclosed
US-20180079727-A1 9-MEMBERED FUSED RING DERIVATIVE SHIONOGI & CO., LTD. (JP) 2018-03-22 US disclosed
EP-1884519-B1 METAL HYDRIDE COMPLEX, METHOD OF HYDROGENATING RING-OPENING POLYMERIZATION POLYMER OF CYCLOOLEFIN, AND PROCESS FOR PRODUCING PRODUCT OF HYDROGENATION OF RING-OPENING POLYMERIZATION POLYMER OF CYCLOOLEFIN JSR CORP (JP) 2014-03-19 EP disclosed
US-20130289013-A1 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS SUNOVION PHARMACEUTICALS INC. 2013-10-31 US disclosed
US-8524756-B2 Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2013-09-03 US disclosed
US-8524756-B2 Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2013-09-03 US disclosed
US-20080021069-A1 Receptor Function Regulating Agent TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 US disclosed
US-20070179264-A1 Copolymer of 8-methyl-8-methoxycarbonyltetracyclo[4.4.0.12,5.17,10]-3-dodecene or derivative with tricyclo[4.3.0.12,5]deca-3,7-diene or derivative; can be stretched even at low temperature around the glass transition temperature without causing cloudiness; excellent heat resistance and optical properties JSR CORPORATION (JP) 2007-08-02 US disclosed
EP-1739113-A1 CYCLOOLEFIN COPOLYMER OBTAINED BY RING-OPENING POLYMERIZATION, USE THEREOF, AND PROCESS FOR PRODUCING RETARDATION PLATE COMPRISING THE COPOLYMER JSR Corporation (JP) 2007-01-03 EP disclosed
EP-0346465-B1 1-CARBOXY-1-VYNILOXYIMINOAMINOTHIAZOLE CEPHALOSPORING DERIVATIVES AND PROCESS FOR THEIR PREPARATION BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-08-11 EP disclosed
US-5225406-A Antibiotics BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-07-06 US disclosed
US-5084453-A Antibiotics, bactericides BANYU PHARMACEUTICAL CO., LTD. (JP) 1992-01-28 US disclosed
US-4952589-A HISTAMINE H2-ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1990-08-28 US disclosed
EP-0181163-B1 HETEROCYCLIC PHENOXY DERIVATIVES HAVING AN ANTIHISTAMINE H2 ACTIVITY SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1989-12-20 EP disclosed
US-4681883-A Histamine H2 -antagonist oxazole and thiazole derivatives and compositions therefor SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1987-07-21 US disclosed
EP-0181163-A2 Heterocyclic phenoxy derivatives having an antihistamine H2 activity SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1986-05-14 EP 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-20180079727-A1 9-MEMBERED FUSED RING DERIVATIVE ACSS2, AGTR2, ACSL3 ATM 2158/4885POLB 3251/4885SMN1; SMN2 3795/4885
US-20080021069-A1 Receptor Function Regulating Agent GPR119, INSR, GPR65 ATM 3360/4885POLB 4843/4885SMN1; SMN2 4521/4885
US-20130289013-A1 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS PAICS, ITPA, DPYD ATM 4342/4885POLB 2243/4885SMN1; SMN2 593/4885
US-11641858-B2 Agricultural chemicals DDT, CYP4X1, CYP1A2 ATM 3431/4885POLB 4722/4885SMN1; SMN2 4772/4885
US-20230374042-A1 KRAS MODULATORS AND USES THEREOF KRAS, NRAS, HRAS ATM 1251/4885POLB 2849/4885SMN1; SMN2 2571/4885
US-20180170876-A1 NOVEL HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC5, HDAC11 ATM 2310/4885POLB 2093/4885SMN1; SMN2 3668/4885
US-10870624-B2 Histone deacetylase inhibitors HDAC1, HDAC5, HDAC2 ATM 2532/4885POLB 2027/4885SMN1; SMN2 3057/4885
US-11912723-B2 KRAS modulators and uses thereof KRAS, NRAS, HRAS ATM 1251/4885POLB 2849/4885SMN1; SMN2 2571/4885

“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.