SCHEMBL1683418

SCHEMBL1683418

COc1cnc2c(ccn2S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
POLB P06746 1/20 0.62
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
CYP2C19 P33261 1/20 0.57
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
MET P08581 1/20 0.44
PKM P14618 1/20 0.44
FGFR4 P22455 4/20 0.43
FGFR1 P11362 1/20 0.43
FGFR2 P21802 1/20 0.43
FGFR3 P22607 1/20 0.43
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42

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
SCHEMBL9959520 0.88 L3MBTL1 (0.59) HTR6L3MBTL1POLBMEN1KMT2A
SCHEMBL27889650 0.85 CYP2C19 (0.52) HTR6L3MBTL1POLBMEN1KMT2A
SCHEMBL17103594 0.85 HTR6 (0.51) HTR6L3MBTL1POLBMEN1KMT2A
SCHEMBL17103496 0.84 HTR6 (0.50) HTR6L3MBTL1POLBMEN1KMT2A
SCHEMBL22077191 0.84 CYP2C19 (0.53) HTR6L3MBTL1POLBMEN1KMT2A
SCHEMBL1958833 0.82 CYP2C19 (0.61) HTR6L3MBTL1POLBMEN1KMT2A
SCHEMBL1963791 0.81 CYP2C19 (0.53) HTR6L3MBTL1POLBMEN1KMT2A
SCHEMBL1962967 0.80 CYP2C19 (0.52) HTR6L3MBTL1POLBMEN1KMT2A
SCHEMBL2928668 0.80 CYP2C19 (0.58) HTR6L3MBTL1POLBMEN1KMT2A
SCHEMBL4337679 0.80 GAK (0.49) HTR6L3MBTL1POLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10342798-B2 Fused bicyclic pyrimidine derivatives and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-07-09 US disclosed
US-10342798-B2 Fused bicyclic pyrimidine derivatives and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-07-09 US disclosed
US-20180369243-A9 FUSED BICYCLIC PYRIMIDINE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-12-27 US disclosed
US-20180153894-A1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-06-07 US disclosed
US-20180153894-A1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-06-07 US disclosed
US-20180153894-A1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-06-07 US disclosed
EP-3313529-A1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES AND USES THEREOF Dana Farber Cancer Institute, Inc. (US) 2018-05-02 EP disclosed
WO-2016210291-A1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-12-29 WO disclosed
EP-2513103-A1 AZAINDOLE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2012-10-24 EP disclosed
US-8222416-B2 Azaindole glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2012-07-17 US disclosed
US-20030212055-A1 Cinnoline compounds ASTRAZENECA AB (SE) 2003-11-13 US disclosed
US-20030207878-A1 Chemical compounds ASTRAZENECA AB (SE) 2003-11-06 US disclosed
US-20030199491-A1 Quinoline derivatives having vegf inhibiting activity ASTRAZENECA AB (SE) 2003-10-23 US disclosed
US-20030158216-A1 2-acyl indole derivatives and their use as antitumor agents BAXTER ONCOLOGY GMBH 2003-08-21 US disclosed
EP-1313726-A1 QUINOLINE DERIVATIVES HAVING VEGF INHIBITING ACTIVITY AstraZeneca AB (SE) 2003-05-28 EP disclosed
EP-1309587-A1 CINNOLINE COMPOUNDS AstraZeneca AB (SE) 2003-05-14 EP disclosed
US-20020091124-A1 2-acyl indole derivatives and their use as antitumor agents BECKERS THOMAS (DE) 2002-07-11 US disclosed
WO-2002016348-A1 ANTIANGIOGENIC BICYCLIC DERIVATIVES ASTRAZENECA AB (SE) 2002-02-28 WO disclosed
WO-2002012228-A1 CINNOLINE COMPOUNDS ASTRAZENECA AB (SE) 2002-02-14 WO disclosed
WO-2002012226-A1 QUINOLINE DERIVATIVES HAVING VEGF INHIBITING ACTIVITY ASTRAZENECA AB (SE) 2002-02-14 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-20180369243-A9 FUSED BICYCLIC PYRIMIDINE DERIVATIVES AND USES THEREOF CDK3, CDK14, CDK1 HTR6 4094/4885L3MBTL1 3516/4885POLB 503/4885
US-20030199491-A1 Quinoline derivatives having vegf inhibiting activity VEGFA, FLT1, FLT4 HTR6 2996/4885L3MBTL1 3797/4885POLB 1225/4885
US-20030158216-A1 2-acyl indole derivatives and their use as antitumor agents IDO1, IDO2, INMT HTR6 563/4885L3MBTL1 3305/4885POLB 3573/4885
US-20020091124-A1 2-acyl indole derivatives and their use as antitumor agents IDO1, IDO2, INMT HTR6 563/4885L3MBTL1 3305/4885POLB 3573/4885
US-10342798-B2 Fused bicyclic pyrimidine derivatives and uses thereof CDK3, CDK14, CDK1 HTR6 4094/4885L3MBTL1 3516/4885POLB 503/4885
US-20180153894-A1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES AND USES THEREOF CDK3, CDK14, CDK1 HTR6 4094/4885L3MBTL1 3516/4885POLB 503/4885
US-20030207878-A1 Chemical compounds CYP3A7, HTR3C, CNR1 HTR6 997/4885L3MBTL1 4318/4885POLB 2617/4885
US-20030212055-A1 Cinnoline compounds VEGFA, PGF, CCR7 HTR6 2075/4885L3MBTL1 4225/4885POLB 2997/4885

“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.