SCHEMBL9607627

SCHEMBL9607627

Cc1ccc(-c2nc(C3CCCCC3)nc(Nc3ccc(C(N)=O)cc3)c2O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 3/20 0.59
KDR P35968 7/20 0.50
F11 P03951 2/20 0.46
F7 P08709 2/20 0.46
F10 P00742 1/20 0.46
SYK P43405 3/20 0.43
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
BRAF P15056 1/20 0.41
HTT P42858 1/20 0.41
LCK P06239 2/20 0.41
JAK3 P52333 2/20 0.41
MAPK3 P27361 1/20 0.41
MAPK1 P28482 1/20 0.41
KCNH2 Q12809 1/20 0.41
AURKB Q96GD4 1/20 0.41
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL6918626 0.90 HTR2A (0.46) F9F11F7F10SYK
SCHEMBL6919197 0.90 F9 (0.59) F9KDRF11F7F10
SCHEMBL1233098 0.84 F9 (0.58) F9F11F7F10SYK
SCHEMBL1232151 0.84 F9 (0.62) F9KDRF11F7F10
SCHEMBL1231131 0.82 HTR2A (0.46) F9F11F7F10HTR2A
SCHEMBL9607751 0.82 HTR2A (0.40) F9F11F7F10SYK
SCHEMBL1232103 0.79 F9 (0.61) F9KDRF11F7F10
SCHEMBL1231149 0.78 F9 (0.65) F9KDRF11F7F10
SCHEMBL6919026 0.74 F9 (1.00) F9KDRF11F7F10
SCHEMBL31060934 0.67 KDR (1.00) KDRALDH1A1POLBBRAFHTT

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-20120136016-A1 4, 5, 6-TRISUBSTITUTED PYRIMIDINE DERIVATIVES AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2012-05-31 US disclosed
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 1/4885KDR 901/4885F11 5/4885

“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.