SCHEMBL541572

SCHEMBL541572

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

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.48
▸ GABBR2 O75899 6/20 0.46
▸ GABBR1 Q9UBS5 6/20 0.46
▸ GAA P10253 2/20 0.46
▸ KDR P35968 1/20 0.46
▸ AURKB Q96GD4 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ OPRK1 P41145 1/20 0.44
▸ PDGFRB P09619 3/20 0.41
▸ PDGFRA P16234 3/20 0.41
▸ JAK2 O60674 1/20 0.40
▸ JAK1 P23458 1/20 0.40
▸ JAK3 P52333 1/20 0.40
▸ HRH4 Q9H3N8 1/20 0.40
▸ BRS3 P32247 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HCRTR1 O43613 1/20 0.39
▸ HCRTR2 O43614 1/20 0.39

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
SCHEMBL541571 1.00 MAPT (0.48) MAPTGABBR2GABBR1GAAKDR
SCHEMBL12795970 0.90 OPRK1 (0.45) MAPTGABBR2GABBR1KDRAURKB
SCHEMBL541600 0.88 KDR (0.45) GABBR2GABBR1KDRAURKBJAK2
SCHEMBL541601 0.88 KDR (0.45) GABBR2GABBR1KDRAURKBJAK2
SCHEMBL12795955 0.82 OPRK1 (0.45) MAPTALDH1A1OPRK1PDGFRBPDGFRA
SCHEMBL12795985 0.81 MAPT (0.47) MAPTGAAALDH1A1KMT2AKDM4E
SCHEMBL12795994 0.81 MAPT (0.47) MAPTGAAALDH1A1KMT2AKDM4E
SCHEMBL12795978 0.80 OPRK1 (0.44) MAPTGABBR2GABBR1KDRAURKB
SCHEMBL541610 0.80 KDR (0.42) GABBR2GABBR1KDRAURKBALDH1A1
SCHEMBL6525301 0.80 KDR (0.42) GABBR2GABBR1KDRAURKBALDH1A1

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 MAPT 2938/4885GABBR2 254/4885GABBR1 378/4885
US-20130310373-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 MAPT 3111/4885GABBR2 272/4885GABBR1 415/4885

“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.

Send feedback