SCHEMBL3585667

SCHEMBL3585667

COc1ccc(Cn2cc(NC(=O)c3cc(Cl)ccc3OC)c(-c3nn(CCN4CCOCC4)c(=O)n3Cc3ccc(OC)cc3)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
TP53 P04637 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
LMNA P02545 3/20 0.43
ABCB1 P08183 1/20 0.43
MAPT P10636 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
GPR55 Q9Y2T6 1/20 0.42
USP2 O75604 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL3588294 0.88 TP53 (0.48) MEN1KMT2AALDH1A1TP53RXFP1
SCHEMBL5317422 0.86 NPC1 (0.46) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL13349099 0.83 TP53 (0.41) MEN1KMT2AALDH1A1TP53RXFP1
SCHEMBL5313924 0.79 MEN1 (0.45) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL3579583 0.78 SMN1; SMN2 (0.46) ALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL5317418 0.77 ALDH1A1 (0.40) ALDH1A1MAPTMAPK1SMN1; SMN2NR1H4
SCHEMBL3586746 0.75 SMN1; SMN2 (0.43) ALDH1A1LMNAMAPTMAPK1SMN1; SMN2
SCHEMBL3579336 0.71 MEN1 (0.45) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL22778876 0.71 LMNA (0.80) MEN1KMT2AALDH1A1TP53LMNA
Hydrochloric Acid SCHEMBL3585786 0.71 MEN1 (0.44) MEN1KMT2AALDH1A1CYP1A2CYP3A4

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-20100160324-A1 PYRAZOLE DERIVATIVES AS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES ASTEX THERAPEUTICS LIMITED (GB) 2010-06-24 US disclosed
US-20100160324-A1 PYRAZOLE DERIVATIVES AS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES ASTEX THERAPEUTICS LIMITED (GB) 2010-06-24 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-20100160324-A1 PYRAZOLE DERIVATIVES AS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES CDK1, CDK3, CDK13 MEN1 1244/4885KMT2A 586/4885ALDH1A1 3914/4885

“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.