SCHEMBL20489873

SCHEMBL20489873

N#Cc1cc(CN)ccc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 3/20 0.42
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
AR P10275 11/20 0.42
NSD2 O96028 2/20 0.41
SLC22A12 Q96S37 1/20 0.40
LOX P28300 1/20 0.39
BCL2A1 Q16548 1/20 0.37
KIF11 P52732 1/20 0.37

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
SCHEMBL29417004 1.00 LOXL2 (0.42) LOXL2RXRARXRBRXRGAR
SCHEMBL12497799 0.86 RXRA (0.52) RXRARXRBRXRGARNSD2
SCHEMBL14697183 0.82 RXRA (0.42) RXRARXRBRXRGARSLC22A12
SCHEMBL31435395 0.82 RXRA (0.42) RXRARXRBRXRGARSLC22A12
SCHEMBL25185937 0.82 RXRA (0.42) RXRARXRBRXRGARSLC22A12
SCHEMBL24108442 0.82 RXRA (0.42) RXRARXRBRXRGARSLC22A12
SCHEMBL16691050 0.82 AR (0.48) RXRARXRBRXRGARSLC22A12
SCHEMBL10703186 0.82 AR (0.51) RXRARXRBRXRGARSLC22A12
SCHEMBL28812617 0.79 RXRA (0.40) RXRARXRBRXRGARSLC22A12
SCHEMBL15716249 0.78 AR (0.43) RXRARXRBRXRGARSLC22A12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108137513-B Pyrimidine derivatives ASKA 制药株式会社 2022-03-01 CN disclosed
EP-3372589-B1 PYRIMIDINE DERIVATIVE ASKA PHARM CO LTD (JP) 2021-10-20 EP disclosed
US-10710967-B2 Pyrimidine derivative ASKA PHARMACEUTICAL CO., LTD. (JP) 2020-07-14 US disclosed
US-20200071280-A1 PYRIMIDINE DERIVATIVE ASKA PHARMACEUTICAL CO., LTD. (JP) 2020-03-05 US disclosed
EP-3372589-A1 PYRIMIDINE DERIVATIVE ASKA Pharmaceutical Co., Ltd. (JP) 2018-09-12 EP 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-20200071280-A1 PYRIMIDINE DERIVATIVE CXCR1, PTGS1, P2RY1 LOXL2 3013/4885RXRA 399/4885RXRB 461/4885
US-10710967-B2 Pyrimidine derivative CXCR1, PTGS1, P2RY1 LOXL2 3013/4885RXRA 399/4885RXRB 461/4885

“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.