SCHEMBL4097152

SCHEMBL4097152

COCC(=O)Nc1ccc2nc(NC3CCc4cccc(F)c43)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
CDK9 P50750 1/20 0.39
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MCHR1 Q99705 2/20 0.37
CASP3 P42574 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
ABL1 P00519 1/20 0.37
EGFR P00533 3/20 0.37
KDM4E B2RXH2 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPC1 O15118 1/20 0.36
NOTUM Q6P988 1/20 0.36
P2RY14 Q15391 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
SCHEMBL3413443 0.89 MEN1 (0.37) MAPTRAB9AMEN1KMT2AALDH1A1
SCHEMBL4097391 0.85 DRD4 (0.43) MAPTSMN1; SMN2KMT2AALDH1A1EGFR
SCHEMBL4109629 0.84 MEN1 (0.42) MAPTMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL3414719 0.83 NPY1R (0.45)
SCHEMBL4116978 0.82 MGLL (0.39) MAPTMEN1KMT2AMCHR1KDM4E
SCHEMBL4107427 0.82 RAB9A (0.35) CCNE1CDK2MAPTSMN1; SMN2RAB9A
SCHEMBL7606814 0.81 MTNR1B (0.42) MAPTSMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL4117925 0.81 MTNR1B (0.43) MAPTMEN1KMT2AKDM4E
SCHEMBL4108706 0.79 ADRA2B (0.40) SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL3401620 0.78 KMT2A (0.38) MAPTSMN1; SMN2MEN1KMT2AALDH1A1

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-8183380-B2 2-aminoquinolines HOFFMANN-LA ROCHE INC. (US) 2012-05-22 US claimed
US-20090227570-A1 2-AMINOQUINOLINES HOFFMANN-LA ROCHE, INC. 2009-09-10 US claimed
US-8183380-B2 2-aminoquinolines HOFFMANN-LA ROCHE INC. (US) 2012-05-22 US disclosed
US-20090227570-A1 2-AMINOQUINOLINES HOFFMANN-LA ROCHE, INC. 2009-09-10 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-20090227570-A1 2-AMINOQUINOLINES HTR5A, HTR2C, HTR2A CCNT1 542/4885CCNE1 494/4885CDK2 345/4885

“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.