SCHEMBL18095997

SCHEMBL18095997

CCOC(=O)c1cc(C)cc(N2CCNC(C)(C)C2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCQ Q04759 1/20 0.43
▸ CSNK1E P49674 1/20 0.39
▸ PRKD1 Q15139 1/20 0.37
▸ PRKD2 Q9BZL6 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ POLB P06746 2/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ PIM3 Q86V86 1/20 0.36
▸ PIM2 Q9P1W9 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CASP1 P29466 1/20 0.36

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
SCHEMBL19913879 0.84 PRKCQ (0.58) PRKCQCSNK1EKDM4ENPC1RAB9A
SCHEMBL20548019 0.78 KMT2A (0.56) KDM4ENPC1RAB9ARXFP1KMT2A
SCHEMBL30686547 0.77 OGA (0.46) KDM4ENPC1RAB9ARXFP1KMT2A
SCHEMBL18096221 0.77 CYP1A2 (0.42) PRKCQKDM4ENPC1RAB9ARXFP1
SCHEMBL19995678 0.76 HDAC1 (0.42) PRKCQKDM4EKMT2AHDAC1PIM1
SCHEMBL19999992 0.76 PRKCQ (0.51) PRKCQCSNK1EPRKD1PRKD2KDM4E
SCHEMBL18096232 0.75 NR1H2 (0.36) KDM4ENPC1RAB9ARXFP1KMT2A
Hydrochloric Acid SCHEMBL30686524 0.73 OGA (0.43) PRKCQKMT2APOLBHDAC1MAPT
SCHEMBL19995683 0.72 GAA (0.56) PRKCQKDM4ENPC1RAB9ARXFP1
SCHEMBL64542 0.72 MAPK1 (0.49) RAB9AKMT2APOLBCYP1A2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180057505-A1 BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY VERTEX PHARMACEUTICALS INCORPORATED 2018-03-01 — — US disclosed
US-20180057505-A1 BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY VERTEX PHARMACEUTICALS INCORPORATED 2018-03-01 — — US disclosed
US-20180057505-A1 BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY VERTEX PHARMACEUTICALS INCORPORATED 2018-03-01 — — US disclosed
WO-2016154075-A1 BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-09-29 — — 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 (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-20180057505-A1 BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, PARP12, TFPI2 PRKCQ 238/4885CSNK1E 1828/4885PRKD1 377/4885

“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.

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