SCHEMBL7258404

SCHEMBL7258404

CCc1cccc2[nH]n[c]c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.38
GABRB2 P47870 4/20 0.38
DAO P14920 1/20 0.36
DDO Q99489 1/20 0.36
TAAR1 Q96RJ0 2/20 0.33
HTR1A P08908 1/20 0.33
NPEPPS P55786 1/20 0.33
TRPA1 O75762 1/20 0.33
ATP4A P20648 1/20 0.32
ATP4B P51164 1/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
PDK2 Q15119 1/20 0.32
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
KCNH2 Q12809 1/20 0.31
SCN5A Q14524 1/20 0.31
DDAH1 O94760 1/20 0.31

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
SCHEMBL6048289 0.82 LIPG (0.39) KCNH2
SCHEMBL3326167 0.79 CYP1A2 (0.43) DAOKDM4EALDH1A1MEN1KMT2A
SCHEMBL5745178 0.75 TAAR1 (0.37) TAAR1MEN1POLBKMT2A
SCHEMBL1856006 0.75 MAPK1 (0.38) DAOALDH1A1
SCHEMBL558395 0.71 NOS1 (0.42) MAPTKDM4EALDH1A1KMT2A
SCHEMBL558190 0.67 AXL (0.47) TAAR1TRPA1KDM4ENOTUM
SCHEMBL284553 0.64 GABRA1 (0.39) GABRA1GABRB2DAODDOTAAR1
SCHEMBL29466093 0.64 GABRA1 (0.39) GABRA1GABRB2DAODDOTAAR1
SCHEMBL2633084 0.64 IDO1 (0.55) DAODDOTRPA1KDM4E
SCHEMBL6009050 0.63 MAPT (0.54) GABRA1GABRB2DAODDONPEPPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003030909-A1 2- AND 4-AMINOPYRIMIDINES N-SUBSTTITUDED BY A BICYCLIC RING FOR USE AS KINASE INHIBITORS IN THE TREATMENT OF CANCER BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-17 WO claimed
US-RE48622-E1 Therapeutically active pyrazolo-pyrimidine derivatives UCB Biopharma SRL (BE) 2021-07-06 US disclosed
EP-2935269-B1 THERAPEUTICALLY ACTIVE PYRAZOLO-PYRIMIDINE DERIVATIVES UCB BIOPHARMA SPRL (BE) 2018-04-11 EP disclosed
US-9714248-B2 Therapeutically active pyrazolo-pyrimidine derivatives UCB PHARMA SA (BE) 2017-07-25 US disclosed
US-20160194329-A1 Therapeutically Active Pyrazolo-Pyrimidine Derivatives UCB PHARMA SA (BE) 2016-07-07 US disclosed
EP-2935269-A1 THERAPEUTICALLY ACTIVE PYRAZOLO-PYRIMIDINE DERIVATIVES UCB Biopharma SPRL (BE) 2015-10-28 EP disclosed
WO-2014096423-A1 THERAPEUTICALLY ACTIVE PYRAZOLO-PYRIMIDINE DERIVATIVES UCB PHARMA S.A. (BE) 2014-06-26 WO disclosed
EP-2690495-A1 Lithographic printing plate precursor and plate making method thereof Fujifilm Corporation (JP) 2014-01-29 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 (1 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-20160194329-A1 Therapeutically Active Pyrazolo-Pyrimidine Derivatives HAVCR2, TPMT, NFATC1 GABRA1 1132/4885GABRB2 1710/4885DAO 956/4885

“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.