SCHEMBL9607770

SCHEMBL9607770

[C-]#[N+]c1ccc2[nH]c(-c3ncnc(-c4ccc(C)cc4)c3O)nc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 7/20 0.57
F11 P03951 4/20 0.57
F10 P00742 3/20 0.57
F7 P08709 3/20 0.43
SMPD3 Q9NY59 1/20 0.39
CHEK2 O96017 2/20 0.35
PDPK1 O15530 1/20 0.35
CDK4 P11802 1/20 0.34
CCNA2 P20248 1/20 0.34
CCND1 P24385 1/20 0.34
CDK2 P24941 1/20 0.34
CCND3 P30281 1/20 0.34
NPBWR1 P48145 1/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
MET P08581 1/20 0.34
KDR P35968 1/20 0.34
CYP2C9 P11712 1/20 0.33
KDM4E B2RXH2 1/20 0.33
RAB9A P51151 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
SCHEMBL8514549 0.81 F9 (0.58) F9F11F10F7SMPD3
SCHEMBL1232343 0.79 F10 (0.84) F9F11F10F7CHEK2
SCHEMBL10140104 0.76 NPBWR1 (0.36) F9F11F10SMPD3CHEK2
SCHEMBL10140720 0.73 PDPK1 (0.39) SMPD3PDPK1CDK4CCNA2CCND1
SCHEMBL10140703 0.73 CA12 (0.39) PDPK1CDK4CCNA2CCND1CDK2
SCHEMBL6918372 0.72 F10 (1.00) F9F11F10F7CHEK2
SCHEMBL10140767 0.70 NPC1 (0.43) PDPK1CDK4CCNA2CCND1CDK2
SCHEMBL10140741 0.69 KDM4E (0.42) PDPK1KDM4ERAB9A
SCHEMBL9607765 0.68 F9 (0.44) F9F11F10F7KDR
SCHEMBL9607654 0.67 F9 (0.39) F9F11F10F7SMPD3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120136016-A1 4, 5, 6-TRISUBSTITUTED PYRIMIDINE DERIVATIVES AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2012-05-31 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-20120136016-A1 4, 5, 6-TRISUBSTITUTED PYRIMIDINE DERIVATIVES AS FACTOR IXA INHIBITORS F9, F8, F12 F9 1/4885F11 5/4885F10 9/4885

“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.