SCHEMBL6082902

SCHEMBL6082902

CC[C@@H](Nc1nccc(-c2cc(F)c(OC)cc2C)c1N)C1CC1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.35
NR1I2 O75469 2/20 0.35
SOS1 Q07889 1/20 0.34
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33
CRHR1 P34998 1/20 0.33

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
SCHEMBL6822466 1.00 IDO1 (0.35) IDO1NR1I2SOS1CCNT1CDK9
SCHEMBL6817840 0.89 CRHR1 (0.39) IDO1NR1I2SOS1CRHR1
SCHEMBL6082133 0.89 CRHR1 (0.39) IDO1NR1I2SOS1CRHR1
SCHEMBL6084266 0.88 IDO1 (0.35) IDO1SOS1
SCHEMBL6082688 0.84 IDO1 (0.35) IDO1NR1I2SOS1CCNT1CDK9
SCHEMBL6081913 0.84 IDO1 (0.35) IDO1NR1I2SOS1CCNT1CDK9
SCHEMBL6082536 0.82 IDO1 (0.35) IDO1
SCHEMBL6082363 0.82 PIK3CA (0.37) CRHR1
SCHEMBL6822467 0.77 KMT5A (0.34) CCNT1CDK9
SCHEMBL6817773 0.76 CRHR1 (0.39) CRHR1

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-7067658-B2 Pyridino and pyrimidino pyrazinones BRISTOL-MYERS SQUIBB COMPANY (US) 2006-06-27 US disclosed
US-20040082784-A1 Pyridino and pyrimidino pyrazinones BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-04-29 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-20040082784-A1 Pyridino and pyrimidino pyrazinones CRHR1, CRHR2, CRH IDO1 667/4885NR1I2 103/4885SOS1 3755/4885

“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.