SCHEMBL1636834

SCHEMBL1636834

COC(=O)Cc1cnc(N)s1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.71
HTT P42858 2/20 0.51
HSD17B10 Q99714 2/20 0.51
TSHR P16473 2/20 0.48
POLB P06746 2/20 0.46
ALDH1A1 P00352 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
RECQL P46063 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HRH2 P25021 3/20 0.40
EPHX2 P34913 1/20 0.39
NOS1 P29475 1/20 0.38
GAA P10253 1/20 0.38
GFER P55789 1/20 0.38
HSP90AB1 P08238 1/20 0.37

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
Bromide SCHEMBL1636830 0.98 SMN1; SMN2 (0.69) SMN1; SMN2HTTHSD17B10TSHRPOLB
SCHEMBL1829347 0.83 SMN1; SMN2 (1.00) SMN1; SMN2HTTHSD17B10TSHRPOLB
SCHEMBL4594749 0.83 SMN1; SMN2 (0.55) SMN1; SMN2HTTHSD17B10TSHRPOLB
Methoxymethane SCHEMBL18550632 0.83 SMN1; SMN2 (0.62) SMN1; SMN2HTTHSD17B10TSHRPOLB
Hydrochloric Acid SCHEMBL7250096 0.82 SMN1; SMN2 (0.97) SMN1; SMN2HTTHSD17B10TSHRPOLB
Bromide SCHEMBL15825194 0.82 SMN1; SMN2 (0.54) SMN1; SMN2HTTHSD17B10TSHRPOLB
SCHEMBL16086229 0.81 SMN1; SMN2 (0.52) SMN1; SMN2HTTHSD17B10TSHRPOLB
SCHEMBL15522867 0.81 SMN1; SMN2 (0.47) SMN1; SMN2HTTHSD17B10TSHRPOLB
SCHEMBL14549193 0.81 SMN1; SMN2 (0.51) SMN1; SMN2HTTHSD17B10TSHRPOLB
SCHEMBL15581574 0.81 ALDH1A1 (0.50) SMN1; SMN2HTTHSD17B10ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118255746-A Selective CDK12/13 inhibitors and uses thereof 南京圣和药业股份有限公司 2024-06-28 CN disclosed
US-20240092770-A1 Heterocycle RMB39 Modulators RECURSION PHARMACEUTICALS, INC. 2024-03-21 US disclosed
WO-2024039689-A1 HETEROCYCLE RBM39 MODULATORS RECURSION PHARMACEUTICALS, INC. (US) 2024-02-22 WO disclosed
EP-4275759-A2 QUINOLINE DERIVATIVES AS CHROMOBOX (CBX) PROTEIN INHIBITORS FOR TREATING CANCER Dana-Farber Cancer Institute, Inc. (US) 2023-11-15 EP disclosed
EP-3515449-B1 QUINOLINE DERIVATIVES AS CHROMOBOX (CBX) PROTEIN INHIBITORS FOR TREATING CANCER DANA FARBER CANCER INST INC (US) 2023-07-12 EP disclosed
US-20230159521-A1 1H-PYRAZOLO[4,3-G]ISOQUINOLINE AND 1H-PYRAZOLO[4,3-G]QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED 2023-05-25 US disclosed
US-20230159521-A1 1H-PYRAZOLO[4,3-G]ISOQUINOLINE AND 1H-PYRAZOLO[4,3-G]QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED 2023-05-25 US disclosed
WO-2022095989-A1 P300 INHIBITORS AND USE THEREOF IN MEDICINE 贝达药业股份有限公司 2022-05-12 WO disclosed
WO-2021203025-A1 1 H-PYRAZOLO[4,3-G]ISOQUINOLINE AND 1 H-PYRAZOLO[4,3-G]QUINOLINE DERIVATIVES AS ALPHA-1 -ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1 -ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-10-07 WO disclosed
WO-2021129817-A1 PYRIMIDINE-BASED COMPOUND HAVING INHIBITORY EFFECT OF KETOHEXOKINASE (KHK) 南京明德新药研发有限公司 2021-07-01 WO disclosed
CN-1267431-C Substituted quinazoline derivatives and their use as inhibitors ASTRAZENECA AB (SE) 2006-08-02 CN disclosed
WO-2006036266-A1 THIENOPYRIMIDINES USEFUL AS AURORA KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2006-04-06 WO disclosed
CN-1753889-A Quinazoline compounds ASTRAZENECA AB (SE) 2006-03-29 CN disclosed
US-20060046987-A1 Substituted quinazoline derivatives and their use as inhibitors ASTRAZENECA AB (SE) 2006-03-02 US disclosed
US-20060035908-A1 Thienopyrimidines useful as Aurora kinase inhibitors SUNESIS PHARMACEUTICALS, INC. 2006-02-16 US disclosed
US-6919338-B2 Substituted quinazoline derivatives and their use as inhibitors of aurora-2 kinase ASTRAZENECA AB (SE) 2005-07-19 US disclosed
CN-1496364-A Substituted quinazoline derivatives and their use as inhibitors 2004-05-12 CN disclosed
US-20030187002-A1 Substituted quinazoline derivatives and their use as inhibitors ASTRAZENECA AB (SE) 2003-10-02 US disclosed
EP-1299381-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS AstraZeneca AB (SE) 2003-04-09 EP disclosed
WO-2002000649-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS ASTRAZENECA AB (SE) 2002-01-03 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 (5 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-20060035908-A1 Thienopyrimidines useful as Aurora kinase inhibitors AURKA, AURKB, AURKC SMN1; SMN2 3702/4885HTT 4544/4885HSD17B10 3860/4885
US-20240092770-A1 Heterocycle RMB39 Modulators PRMT9, RCC2, RBBP9 SMN1; SMN2 783/4885HTT 1714/4885HSD17B10 1115/4885
US-20060046987-A1 Substituted quinazoline derivatives and their use as inhibitors AURKA, AURKB, AURKC SMN1; SMN2 3417/4885HTT 4307/4885HSD17B10 3227/4885
US-20030187002-A1 Substituted quinazoline derivatives and their use as inhibitors AURKA, AURKC, AURKB SMN1; SMN2 3412/4885HTT 4535/4885HSD17B10 3022/4885
US-20230159521-A1 1H-PYRAZOLO[4,3-G]ISOQUINOLINE AND 1H-PYRAZOLO[4,3-G]QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) SERPINA2, SERPINE1, SERPINA3 SMN1; SMN2 3099/4885HTT 890/4885HSD17B10 3512/4885

“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.