SCHEMBL10192607

SCHEMBL10192607

C=C1C=Cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2N1C1CCc2cccc(OC)c21

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.49
BRD4 O60885 14/20 0.47
CDK1 P06493 1/20 0.45
CDK4 P11802 1/20 0.45
CCND1 P24385 1/20 0.45
CDK2 P24941 1/20 0.45
FGFR4 P22455 2/20 0.44
MAP3K7 O43318 1/20 0.44
MAPK1 P28482 1/20 0.44
MAP2K1 Q02750 1/20 0.44
EGFR P00533 1/20 0.43

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
SCHEMBL10346322 0.77 BRD4 (0.53) ALKBRD4CDK1CDK4CCND1
SCHEMBL10192608 0.77 HTR1A (0.34)
SCHEMBL660300 0.77 CDK4 (0.66) ALKCDK1CDK4CCND1CDK2
SCHEMBL10192606 0.75 HTR1A (0.33)
SCHEMBL15035264 0.75 CDK4 (0.51) ALKBRD4CDK1CDK4CCND1
SCHEMBL15035284 0.75 CDK4 (0.51) ALKBRD4CDK1CDK4CCND1
SCHEMBL15035271 0.74 CDK4 (0.50) ALKBRD4CDK1CDK4CCND1
SCHEMBL15035278 0.74 CDK4 (0.50) ALKBRD4CDK4CCND1CDK2
SCHEMBL26061435 0.70 ALK (0.64) ALKBRD4CDK1CDK4CCND1
SCHEMBL15035280 0.70 TNK2 (0.52) ALKBRD4CDK1CDK4CCND1

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-20120046283-A1 COMPOUNDS FOR TREATING NEUROPSYCHIATRIC CONDITIONS AFRAXIS INC. (US) 2012-02-23 US disclosed
US-20120046283-A1 COMPOUNDS FOR TREATING NEUROPSYCHIATRIC CONDITIONS AFRAXIS INC. (US) 2012-02-23 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-20120046283-A1 COMPOUNDS FOR TREATING NEUROPSYCHIATRIC CONDITIONS PAK2, PAK5, PAK6 ALK 3635/4885BRD4 248/4885CDK1 771/4885

“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.