SCHEMBL3088784

SCHEMBL3088784

COc1cccc(Cn2cnc(-c3ccc(F)cc3F)c2CN)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
BCL2L2 Q92843 1/20 0.43
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
TP53 P04637 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
LPO P22079 1/20 0.42
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
TAAR1 Q96RJ0 1/20 0.40
YTHDC1 Q96MU7 1/20 0.40
QPCT Q16769 2/20 0.40
QPCTL Q9NXS2 1/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
P2RX7 Q99572 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
SCHEMBL3090214 0.90 P2RX7 (0.45) HPGDKDM4ENPSR1GRIN1GRIN2B
SCHEMBL3096387 0.88 CDK9 (0.43) BCL2L2ROCK2ROCK1TAAR1MAPK14
SCHEMBL3103140 0.84 DPP4 (0.40) BCL2L2ADORA2AADORA1MMP13
SCHEMBL3102807 0.82 TAAR1 (0.41) KDM4EGRIN1GRIN2BROCK2ROCK1
SCHEMBL3096357 0.82 DPP4 (0.41) QPCTQPCTLMAPK14
SCHEMBL3091438 0.81 CXCR2 (0.51) BCL2L2TP53RXFP1LPOADORA2A
SCHEMBL3096481 0.80 PKM (0.42) KDM4EGRIN1GRIN2BP2RX7
SCHEMBL3096527 0.77 DPP4 (0.41) KDM4EMAPK14
SCHEMBL3595937 0.77 CDK9 (0.46)
SCHEMBL3087715 0.77 DPP4 (0.39) KDM4EBCL2L2TP53ADORA2AADORA1

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 11 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
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 HPGD 749/4885KDM4E 1761/4885NPSR1 371/4885
US-20100234397-A1 ENZYME INHIBITORS ACHE, MAOA, BACE1 HPGD 339/4885KDM4E 2205/4885NPSR1 543/4885

“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.