SCHEMBL21237357

SCHEMBL21237357

CN(C)c1cccc(C(=O)Nc2cncnc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 2/20 0.61
▸ BCAT2 O15382 1/20 0.60
▸ CSF1R P07333 1/20 0.60
▸ GRM5 P41594 7/20 0.59
▸ MAPT P10636 5/20 0.54
▸ RAB9A P51151 2/20 0.54
▸ HTT P42858 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ KDM4E B2RXH2 3/20 0.53
▸ ALDH1A1 P00352 3/20 0.53
▸ HPGD P15428 3/20 0.53
▸ ALOX15 P16050 2/20 0.53
▸ HSD17B10 Q99714 2/20 0.53
▸ TP53 P04637 2/20 0.53
▸ RAF1 P04049 1/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ MAPK11 Q15759 1/20 0.53
▸ MAPK14 Q16539 1/20 0.53

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
SCHEMBL8970557 0.82 KCNK3 (0.70) BRAFMAPTRAB9AHTTSMN1; SMN2
SCHEMBL19662798 0.81 NT5E (0.70) BRAFBCAT2CSF1RGRM5RAB9A
SCHEMBL20435085 0.79 KCNK3 (0.76) BRAFMAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL3707848 0.78 MAPT (0.58) BRAFCSF1RMAPTRAB9AHTT
SCHEMBL6816845 0.78 MAPT (0.62) BRAFCSF1RMAPTRAB9AHTT
SCHEMBL12763862 0.78 KCNK3 (0.75) BRAFMAPTRAB9AHTTKDM4E
SCHEMBL27749505 0.78 MAPT (0.62) BRAFCSF1RMAPTRAB9AHTT
SCHEMBL10428582 0.78 MAPT (0.62) BRAFCSF1RMAPTRAB9AHTT
SCHEMBL3639173 0.78 KCNK3 (0.68) BRAFCSF1RMAPTRAB9AHTT
SCHEMBL19662757 0.78 BCAT2 (0.66) BRAFBCAT2GRM5MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190241558-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2019-08-08 — — 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-20190241558-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, CREBBP BRAF 988/4885BCAT2 3212/4885CSF1R 576/4885

“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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