SCHEMBL18810225

SCHEMBL18810225

OCc1cnc(C#CC2CC2)cn1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.36
▸ GRM5 P41594 1/20 0.36
▸ CHRNB2 P17787 2/20 0.33
▸ CHRNA2 Q15822 2/20 0.33
▸ CHRNB4 P30926 1/20 0.33
▸ CHRNA3 P32297 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33
▸ HCRTR1 O43613 2/20 0.32
▸ HCRTR2 O43614 2/20 0.32
▸ EGLN1 Q9GZT9 1/20 0.32
▸ FFAR1 O14842 1/20 0.30
▸ OGA O60502 1/20 0.30

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
SCHEMBL25076956 0.70 CHEK1 (0.38) —
SCHEMBL1922699 0.70 — —
SCHEMBL5903167 0.69 CCR1 (0.39) —
SCHEMBL2517213 0.66 — —
SCHEMBL17818319 0.66 NOTUM (0.38) CHRNB2CHRNA4FFAR1
SCHEMBL15324177 0.64 GRM5 (0.45) CYP1A2GRM5CHRNB2CHRNA2CHRNB4
SCHEMBL20470940 0.64 CYP1A2 (0.32) CYP1A2GRM5
SCHEMBL507699 0.62 — —
SCHEMBL20401054 0.62 L3MBTL1 (0.37) —
SCHEMBL20401112 0.61 L3MBTL1 (0.39) —

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 9 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
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-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
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
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 CYP1A2 1690/4885GRM5 912/4885CHRNB2 2723/4885
US-10710967-B2 Pyrimidine derivative CXCR1, PTGS1, P2RY1 CYP1A2 1690/4885GRM5 912/4885CHRNB2 2723/4885

“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.

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