SCHEMBL17160481

SCHEMBL17160481

CS(=O)(=O)n1ccc2c(Br)ccnc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.41
MGAM O43451 3/20 0.37
GAA P10253 3/20 0.37
SI P14410 3/20 0.37
MGAM2 Q2M2H8 3/20 0.37
PIK3C3 Q8NEB9 6/20 0.36
CCNB2 O95067 1/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
CCNB3 Q8WWL7 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
ATR Q13535 2/20 0.33
ATRIP Q8WXE1 2/20 0.33
NUAK1 O60285 1/20 0.33
LCK P06239 1/20 0.33
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33
PRKDC P78527 1/20 0.33
ATM Q13315 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL22780825 0.80 MGAM (0.36) MGAMGAASIMGAM2L3MBTL1
SCHEMBL22780906 0.80 MGAM (0.36) MGAMGAASIMGAM2L3MBTL1
SCHEMBL30081932 0.79 L3MBTL1 (0.59) HTR6L3MBTL1CYP2C19RAPGEF4
SCHEMBL1354366 0.79 L3MBTL1 (0.59) HTR6L3MBTL1CYP2C19RAPGEF4
SCHEMBL18552968 0.79 MGAM (0.34) MGAMGAASIMGAM2PRKCI
SCHEMBL568687 0.78 KDM4E (0.43) HTR6PIK3C3L3MBTL1ENPP3ENPP1
SCHEMBL29941031 0.78 CYP2C19 (0.58) HTR6L3MBTL1CYP2C19ENPP3ENPP1
SCHEMBL457569 0.78 CYP2C19 (0.58) HTR6L3MBTL1CYP2C19ENPP3ENPP1
SCHEMBL14303625 0.78 CCR1 (0.43) HTR6PIK3C3CCNB2CDK1CCNB1
SCHEMBL15647165 0.77 HTR6 (0.44) HTR6MGAMGAASIMGAM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11739098-B2 Substituted indole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2023-08-29 US disclosed
EP-3710440-B1 SUBSTITUTED INDOLE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2023-04-05 EP disclosed
US-20230098244-A1 SUBSTITUTED INDOLE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2023-03-30 US disclosed
US-20210253593-A1 SUBSTITUTED INDOLE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-08-19 US disclosed
EP-3710440-A1 SUBSTITUTED INDOLE COMPOUNDS Bristol-Myers Squibb Company (US) 2020-09-23 EP disclosed
CN-111448190-A Substituted indole compounds 百时美施贵宝公司 2020-07-24 CN disclosed
US-9388189-B2 Pyrrolotriazinone derivatives as PI3K inhibitors ALMIRALL, S.A. (ES) 2016-07-12 US disclosed
US-20150291595-A1 PYRROLOTRIAZINONE DERIVATIVES AS PI3K INHIBITORS ALMIRALL, S.A. (ES) 2015-10-15 US disclosed
US-20150087618-A1 Anti-Viral Compounds ABBVIE INC. (US) 2015-03-26 US 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-20150291595-A1 PYRROLOTRIAZINONE DERIVATIVES AS PI3K INHIBITORS PIK3CB, PIK3CD, PIK3CA HTR6 4175/4885MGAM 2823/4885GAA 1413/4885
US-20150087618-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS HTR6 4225/4885MGAM 2749/4885GAA 223/4885
US-20230098244-A1 SUBSTITUTED INDOLE COMPOUNDS TLR7, TLR1, HTR7 HTR6 44/4885MGAM 4761/4885GAA 4731/4885
US-20210253593-A1 SUBSTITUTED INDOLE COMPOUNDS TLR7, TLR1, HTR7 HTR6 44/4885MGAM 4761/4885GAA 4731/4885
US-11739098-B2 Substituted indole compounds TLR7, TLR1, HTR7 HTR6 44/4885MGAM 4761/4885GAA 4731/4885

“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.