SCHEMBL19651836

SCHEMBL19651836

COc1ccc(C(=O)NC2CC2)cc1C(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.53
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
KMT2A Q03164 3/20 0.49
MEN1 O00255 1/20 0.49
ALPL P05186 1/20 0.49
MCHR1 Q99705 1/20 0.48
HPGDS O60760 1/20 0.48
CNR2 P34972 1/20 0.47
MAPT P10636 1/20 0.47
ALOX12 P18054 1/20 0.47
SMYD3 Q9H7B4 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
NPC1 O15118 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL19651825 0.95 KMT2A (0.56) CYP2D6CYP2C9KMT2AMEN1ALPL
SCHEMBL19651858 0.95 CYP2D6 (0.57) MAPK14CYP2D6CYP2C9KMT2AMEN1
SCHEMBL19657231 0.87 HPGDS (0.52) MAPK14CYP2D6CYP2C9KMT2AHPGDS
SCHEMBL2473674 0.84 MEN1 (0.65) MAPK14CYP2D6CYP2C9KMT2AMEN1
Hydrochloric Acid SCHEMBL9639296 0.82 MEN1 (0.64) MAPK14CYP2D6CYP2C9KMT2AMEN1
SCHEMBL17758514 0.81 MAPK14 (0.56) MAPK14KMT2AMEN1ALPLHPGDS
SCHEMBL19651838 0.81 TLR9 (0.51) CYP2C9KMT2AMAPTALOX12TAS1R3
SCHEMBL19651829 0.80 MAPK14 (0.58) MAPK14SMN1; SMN2
SCHEMBL27706504 0.80 ALDH1A1 (0.64) MAPK14KMT2AMEN1ALPLHPGDS
SCHEMBL21473640 0.80 PTK2 (0.56) CYP2D6CYP2C9MCHR1CNR2

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
EP-3218375-B1 SUBSTITUTED PYRROLOPYRDINES AS INHIBITORS OF BROMODOMAIN GENENTECH INC (US) 2022-04-27 EP disclosed
US-20170340605-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 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-20170340605-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRPF3 MAPK14 1711/4885CYP2D6 3505/4885CYP2C9 4243/4885

“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.