SCHEMBL3090214

SCHEMBL3090214

COc1cccc(Cn2cnc(-c3ccc(F)cc3Cl)c2CN)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.45
YTHDC1 Q96MU7 1/20 0.43
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2B Q13224 1/20 0.42
BCL2L2 Q92843 1/20 0.41
ROCK2 O75116 2/20 0.41
ROCK1 Q13464 1/20 0.41
TP53 P04637 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
CXCR2 P25025 1/20 0.41
LPO P22079 1/20 0.40
ADRA1D P25100 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
MMP13 P45452 1/20 0.40

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
SCHEMBL3088784 0.90 HPGD (0.43) P2RX7YTHDC1HPGDKDM4ENPSR1
SCHEMBL3091438 0.90 CXCR2 (0.51) P2RX7YTHDC1BCL2L2TP53RXFP1
SCHEMBL3595937 0.88 CDK9 (0.46)
SCHEMBL3096019 0.86 DPP4 (0.45) BCL2L2
SCHEMBL3088769 0.84 CDK9 (0.39) HPGDGAAMAPTQPCTQPCTL
SCHEMBL3095151 0.83 ACP1 (0.41) P2RX7HPGDNPSR1TSHRADORA2A
SCHEMBL3605740 0.83 P2RX7 (0.46) P2RX7GRIN2BROCK2ROCK1MAPT
SCHEMBL3084292 0.82 CNR1 (0.46)
SCHEMBL3088999 0.82 WDR5 (0.40) LMNAHTTSMN1; SMN2
SCHEMBL3594489 0.82 MEN1 (0.38) KDM4ENPSR1RXFP1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7728146-B2 Enzyme inhibitors PROBIODRUG AG (DE) 2010-06-01 US claimed
US-20100234397-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2010-09-16 US disclosed
US-20100234397-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2010-09-16 US disclosed
US-20100234397-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2010-09-16 US disclosed
US-7728146-B2 Enzyme inhibitors PROBIODRUG AG (DE) 2010-06-01 US disclosed
US-7728146-B2 Enzyme inhibitors PROBIODRUG AG (DE) 2010-06-01 US disclosed
US-7728146-B2 Enzyme inhibitors PROBIODRUG AG (DE) 2010-06-01 US disclosed
US-20070244177-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2007-10-18 US disclosed
US-20070244177-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2007-10-18 US disclosed
WO-2007116092-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2007-10-18 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 (2 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-20070244177-A1 ENZYME INHIBITORS ACHE, BACE1, MAOA P2RX7 2321/4885YTHDC1 4870/4885HPGD 749/4885
US-20100234397-A1 ENZYME INHIBITORS ACHE, MAOA, BACE1 P2RX7 2025/4885YTHDC1 4873/4885HPGD 339/4885

“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.