SCHEMBL18947269

SCHEMBL18947269

NCc1ccc(Nc2ccc(Cl)cc2)nc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 6/20 0.48
▸ MAPT P10636 2/20 0.46
▸ CNR2 P34972 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ IDO1 P14902 1/20 0.44
▸ F10 P00742 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ SCN9A Q15858 1/20 0.41
▸ STK17A Q9UEE5 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
SCHEMBL27295845 0.83 MEN1 (0.51) GRM5MAPTCNR2MEN1LMNA
SCHEMBL8545034 0.83 HCAR3 (0.51) GRM5MAPTCNR2KDM4EMEN1
SCHEMBL18809363 0.83 NPC1 (0.42) MAPTMEN1KMT2AIDO1STK17A
Hydrochloric Acid SCHEMBL31473439 0.82 MEN1 (0.50) GRM5MAPTCNR2MEN1LMNA
SCHEMBL29501822 0.80 MAPT (0.57) GRM5MAPTIDO1
SCHEMBL28402729 0.80 MAPT (0.57) GRM5MAPTIDO1
SCHEMBL12590968 0.80 MEN1 (0.42) MAPTMEN1LMNAKMT2A
SCHEMBL21258685 0.74 KMT2A (0.51) GRM5MAPTMEN1LMNAKMT2A
SCHEMBL29849858 0.74 NPC1 (0.62) GRM5MAPTKDM4EMEN1LMNA
SCHEMBL4516270 0.74 NPC1 (0.62) GRM5MAPTKDM4EMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9920048-B2 Substituted pyrimidines for inhibiting Raf kinase activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2018-03-20 — — US disclosed
US-20170158686-A1 Compounds Useful as Raf Kinase Inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-06-08 — — US 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-20170158686-A1 Compounds Useful as Raf Kinase Inhibitors BRAF, RAF1, ARAF GRM5 4236/4885MAPT 3659/4885CNR2 4187/4885

“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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