SCHEMBL541904

SCHEMBL541904

O=C(c1cnc(N[C@H]2C[C@@H]3CC[C@@H]2C3)nc1C(F)(F)F)N1CCS(O)(O)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.41
AURKB Q96GD4 1/20 0.41
HRH4 Q9H3N8 4/20 0.40
CXCR4 P61073 1/20 0.38
SCD O00767 1/20 0.38
GABBR2 O75899 6/20 0.38
GABBR1 Q9UBS5 6/20 0.38
CXCR1 P25024 1/20 0.37
CXCR2 P25025 1/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
JAK3 P52333 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.35
BRS3 P32247 2/20 0.34

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
SCHEMBL541731 1.00 KDR (0.41) KDRAURKBHRH4CXCR4SCD
SCHEMBL541902 1.00 KDR (0.41) KDRAURKBHRH4CXCR4SCD
SCHEMBL541085 1.00 KDR (0.41) KDRAURKBHRH4CXCR4SCD
SCHEMBL541729 1.00 KDR (0.41) KDRAURKBHRH4CXCR4SCD
SCHEMBL541083 1.00 KDR (0.41) KDRAURKBHRH4CXCR4SCD
SCHEMBL10145269 0.93 KDR (0.41) KDRAURKBHRH4CXCR4SCD
SCHEMBL10145905 0.93 KDR (0.41) KDRAURKBHRH4CXCR4SCD
SCHEMBL541730 0.93 KDR (0.41) KDRAURKBHRH4CXCR4SCD
SCHEMBL541084 0.93 KDR (0.41) KDRAURKBHRH4CXCR4SCD
SCHEMBL541903 0.93 KDR (0.41) KDRAURKBHRH4CXCR4SCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130310373-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-11-21 US disclosed
US-8524727-B2 Pyrimidine compound ASTELLAS PHARMA INC. (JP) 2013-09-03 US disclosed
EP-2415765-A1 PYRIMIDINE COMPOUND Astellas Pharma Inc. (JP) 2012-02-08 EP disclosed
US-20110053912-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-03-03 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 (2 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-20110053912-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 KDR 631/4885AURKB 3221/4885HRH4 57/4885
US-20130310373-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 KDR 562/4885AURKB 3462/4885HRH4 47/4885

“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.