SCHEMBL18810200

SCHEMBL18810200

CC(C)(C)C(=O)NCc1ccc(F)c(C(=N)N)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ CA7 P43166 1/20 0.48
▸ CA14 Q9ULX7 1/20 0.48
▸ PTGES O14684 11/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ CNR2 P34972 1/20 0.44
▸ SMO Q99835 1/20 0.44
▸ EPHX2 P34913 1/20 0.41
▸ NR1H4 Q96RI1 1/20 0.41
▸ HDAC1 Q13547 1/20 0.38

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
Hydrochloric Acid SCHEMBL20489837 0.99 CA1 (0.47) CA1CA2CA7CA14PTGES
Hydrochloric Acid SCHEMBL29416994 0.99 CA1 (0.47) CA1CA2CA7CA14PTGES
SCHEMBL18810196 0.84 PTGES (0.56) CA1CA2CA7CA14PTGES
Hydrochloric Acid SCHEMBL20489802 0.83 PTGES (0.55) CA1CA2CA7CA14PTGES
Hydrochloric Acid SCHEMBL29417239 0.83 PTGES (0.55) CA1CA2CA7CA14PTGES
SCHEMBL14966278 0.82 ROCK2 (0.47) CA1CA2CA7CA14PTGES
SCHEMBL20551918 0.81 HDAC6 (0.46) CA1CA2CA7CA14PTGES
SCHEMBL18810344 0.81 ERCC1 (0.54) PTGESSMO
Hydrochloric Acid SCHEMBL20489872 0.80 ERCC1 (0.52) PTGESSMO
Hydrochloric Acid SCHEMBL29417074 0.80 ERCC1 (0.52) PTGESSMO

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
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
WO-2017073709-A1 PYRIMIDINE DERIVATIVE あすか製薬株式会社 2017-05-04 — — WO 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 CA1 3455/4885CA2 2084/4885CA7 4017/4885
US-10710967-B2 Pyrimidine derivative CXCR1, PTGS1, P2RY1 CA1 3455/4885CA2 2084/4885CA7 4017/4885

“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