SCHEMBL23994211

SCHEMBL23994211

COc1ccc(CN(CC(F)F)c2cc(Cl)nn3ccnc23)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.37
▸ MAPT P10636 3/20 0.37
▸ CYP1A2 P05177 2/20 0.34
▸ CYP2D6 P10635 2/20 0.34
▸ TSHR P16473 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ ADRA2A P08913 1/20 0.34
▸ DRD1 P21728 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HRH1 P35367 1/20 0.34
▸ OPRM1 P35372 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ SLC6A3 Q01959 1/20 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
SCHEMBL31528267 0.90 LMNA (0.41) LMNAMAPTCYP1A2CYP2D6TSHR
SCHEMBL3010219 0.79 CYP19A1 (0.39) LMNAMAPTCYP1A2CYP2D6TSHR
SCHEMBL23994699 0.78 NT5E (0.35) LMNAMAPTALDH1A1QPCTPDE1A
SCHEMBL23994216 0.78 MEN1 (0.41) ALDH1A1MEN1KMT2APDE1APDE1B
SCHEMBL3720418 0.76 PDE1B (0.33) MAPTALDH1A1MEN1KMT2ATHRB
SCHEMBL27164600 0.74 LMNA (0.39) LMNAMAPTCYP1A2CYP2D6TSHR
SCHEMBL30778157 0.73 LMNA (0.41) LMNAMAPTCYP1A2CYP2D6TSHR
SCHEMBL31601888 0.71 PIK3CD (0.43) LMNAMAPTCYP1A2ALDH1A1MEN1
SCHEMBL3017151 0.70 PI4KB (0.49) MEN1KMT2A
SCHEMBL23993917 0.69 ALDH1A1 (0.47) LMNAMAPTCYP1A2CYP2D6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4143194-A1 CD73 INHIBITING 2,4-DIOXOPYRIMIDINE COMPOUNDS GILEAD SCIENCES, INC. (US) 2023-03-08 — — EP disclosed
US-20230039553-A1 CD73 COMPOUNDS GILEAD SCIENCES, INC. 2023-02-09 — — US disclosed
WO-2021222522-A1 CD73 INHIBITING 2,4-DIOXOPYRIMIDINE COMPOUNDS GILEAD SCIENCES, INC. (US) 2021-11-04 — — 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 (1 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-20230039553-A1 CD73 COMPOUNDS ENTPD5, ENTPD1, NT5E LMNA 3592/4885MAPT 4826/4885CYP1A2 3166/4885

“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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