SCHEMBL6336597

SCHEMBL6336597

Cc1c(C(=O)NC2CC2)cnn1-c1nc(-c2ccccc2)cs1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.56
NPC1 O15118 4/20 0.56
ITGB2 P05107 1/20 0.53
ICAM1 P05362 1/20 0.53
ITGAL P20701 1/20 0.53
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.51
GAA P10253 1/20 0.51
HPGD P15428 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
SPR P35270 3/20 0.50
ITGB3 P05106 3/20 0.49
ITGA2B P08514 3/20 0.49
PTGER4 P35408 1/20 0.46
LMNA P02545 1/20 0.44
USP30 Q70CQ3 2/20 0.44

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
SCHEMBL12875465 0.83 RAB9A (0.63) RAB9ANPC1ITGB2ICAM1ITGAL
SCHEMBL14196471 0.82 RAB9A (0.61) RAB9ANPC1ITGB2ICAM1ITGAL
SCHEMBL14196468 0.81 RAB9A (0.60) RAB9ANPC1ITGB2ICAM1ITGAL
SCHEMBL6250477 0.80 PTGER4 (0.55) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL6250463 0.77 ITGB2 (0.56) RAB9ANPC1ITGB2ICAM1ITGAL
SCHEMBL6255206 0.75 RAB9A (0.58) RAB9ANPC1ITGB2ICAM1ITGAL
SCHEMBL12875489 0.74 KDM4E (0.60) RAB9ANPC1ITGB2ICAM1ITGAL
SCHEMBL2854511 0.74 SPR (0.64) RAB9ANPC1MEN1KMT2AHPGD
SCHEMBL12875471 0.73 RAB9A (0.72) RAB9ANPC1ITGB2ICAM1ITGAL
SCHEMBL12875498 0.73 RAB9A (0.71) RAB9ANPC1MEN1KMT2AKDM4E

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-6900219-B2 ABCA-1 elevating compounds CV THERAPEUTICS, INC. (US) 2005-05-31 US disclosed
US-20030220356-A1 ABCA-1 elevating compounds CV THERAPEUTICS, INC. 2003-11-27 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-20030220356-A1 ABCA-1 elevating compounds ABCD3, ABCE1, ABCB4 RAB9A 2138/4885NPC1 6/4885ITGB2 2990/4885

“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.