SCHEMBL971001

SCHEMBL971001

Cc1ccccc1-n1ncc(C(N)=O)c1N

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.72
RIPK2 O43353 1/20 0.63
SCN9A Q15858 2/20 0.55
RAB9A P51151 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
LMNA P02545 1/20 0.55
HPGD P15428 2/20 0.47
ALDH1A1 P00352 2/20 0.47
NPC1 O15118 2/20 0.46
EPHB4 P54760 1/20 0.45
POLB P06746 1/20 0.45
KMT2A Q03164 2/20 0.44
HTT P42858 1/20 0.44
SCN5A Q14524 1/20 0.44
TP53 P04637 1/20 0.43
RPS6KB1 P23443 1/20 0.43
BTK Q06187 1/20 0.42
MEN1 O00255 1/20 0.42
PKM P14618 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
SCHEMBL1691837 0.88 MAPK14 (0.58) MAPK14RIPK2SCN9ARAB9ASMN1; SMN2
SCHEMBL1691804 0.84 RIPK2 (0.67) MAPK14RIPK2SCN9ARAB9ASMN1; SMN2
SCHEMBL1691798 0.84 RIPK2 (0.61) MAPK14RIPK2SCN9ARAB9ASMN1; SMN2
SCHEMBL1691834 0.83 RIPK2 (0.60) MAPK14RIPK2SCN9ARAB9ASMN1; SMN2
SCHEMBL627741 0.82 SIRT3 (0.55) MAPK14RIPK2SCN9ARAB9ASMN1; SMN2
SCHEMBL8029733 0.82 RIPK2 (0.52) MAPK14RIPK2SCN9ARAB9ASMN1; SMN2
SCHEMBL18172002 0.82 ALDH1A1 (0.72) MAPK14RAB9ASMN1; SMN2LMNAHPGD
SCHEMBL1691549 0.82 MAPK14 (0.72) MAPK14RIPK2SCN9ARAB9ASMN1; SMN2
SCHEMBL1691442 0.82 RIPK2 (0.63) MAPK14RIPK2SCN9ARAB9ASMN1; SMN2
SCHEMBL30120752 0.81 MAPK14 (0.74) MAPK14RIPK2SCN9ARAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230140216-A1 COMBINATION THERAPY FOR TREATING MPS1 GAIN THERAPEUTICS SA (CH) 2023-05-04 US disclosed
US-20230140216-A1 COMBINATION THERAPY FOR TREATING MPS1 GAIN THERAPEUTICS SA (CH) 2023-05-04 US disclosed
US-20230140216-A1 COMBINATION THERAPY FOR TREATING MPS1 GAIN THERAPEUTICS SA (CH) 2023-05-04 US disclosed
EP-4100015-A1 COMBINATION THERAPY FOR TREATING MPS1 Gain Therapeutics SA (CH) 2022-12-14 EP disclosed
CN-115397423-A Combination therapy for the treatment of MPS1 增益治疗股份有限公司 2022-11-25 CN disclosed
WO-2021156774-A1 COMBINATION THERAPY FOR TREATING MPS1 GAIN THERAPEUTICS SA (CH) 2021-08-12 WO disclosed
WO-2021156774-A1 COMBINATION THERAPY FOR TREATING MPS1 GAIN THERAPEUTICS SA (CH) 2021-08-12 WO disclosed
EP-2217602-B1 1,5-DIHYDRO-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A MODULATORS FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INT (DE) 2018-08-29 EP disclosed
US-8822479-B2 6-cyclylmethyl-and 6-alkylmethyl-substituted pyrazolepyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-02 US disclosed
US-8822479-B2 6-cyclylmethyl-and 6-alkylmethyl-substituted pyrazolepyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-02 US disclosed
WO-2009068617-A1 1, 5-DIHYDRO-PYRAZOLO (3, 4-D) PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A MODULATORS FOR THE TEATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-04 WO disclosed
US-20070161662-A1 6-Arylmethyl-substituted pyrazolopyrimidines BAYER HEALTHCARE AG (DE) 2007-07-12 US disclosed
US-20070161662-A1 6-Arylmethyl-substituted pyrazolopyrimidines BAYER HEALTHCARE AG (DE) 2007-07-12 US disclosed
US-20070161662-A1 6-Arylmethyl-substituted pyrazolopyrimidines BAYER HEALTHCARE AG (DE) 2007-07-12 US disclosed
US-20070105876-A1 6-Cyclylmethyl- and 6-alkylmethyl-substituted pyrazolepyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-10 US disclosed
US-20070105876-A1 6-Cyclylmethyl- and 6-alkylmethyl-substituted pyrazolepyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-10 US disclosed
US-20070105876-A1 6-Cyclylmethyl- and 6-alkylmethyl-substituted pyrazolepyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-10 US disclosed
EP-1626971-A1 6-CYCLYLMETHYL- AND 6-ALKYLMETHYL-SUBSTITUTED PYRAZOLOPYRIMIDINES Bayer HealthCare AG (DE) 2006-02-22 EP disclosed
WO-2004099210-A1 6-ARYLMETHYL-SUBSTITUTED PYRAZOLOPYRIMIDINES BAYER HEALTHCARE AG (DE) 2004-11-18 WO disclosed
WO-2004099211-A1 6-CYCLYLMETHYL- AND 6-ALKYLMETHYL-SUBSTITUTED PYRAZOLOPYRIMIDINES BAYER HEALTHCARE AG (DE) 2004-11-18 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-20230140216-A1 COMBINATION THERAPY FOR TREATING MPS1 IDUA, MAN2B1, GBA1 MAPK14 4823/4885RIPK2 4695/4885SCN9A 2458/4885
US-20070105876-A1 6-Cyclylmethyl- and 6-alkylmethyl-substituted pyrazolepyrimidines GRM6, P2RX6, P2RY6 MAPK14 1330/4885RIPK2 1263/4885SCN9A 2983/4885
US-20070161662-A1 6-Arylmethyl-substituted pyrazolopyrimidines P2RX6, P2RY6, GRM6 MAPK14 792/4885RIPK2 2057/4885SCN9A 3176/4885

“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.