SCHEMBL2377871

SCHEMBL2377871

Nc1nc[c]cc1-c1ccncc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 1/20 0.40
▸ CHEK2 O96017 1/20 0.39
▸ MAPT P10636 4/20 0.37
▸ LMNA P02545 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ GFER P55789 1/20 0.37
▸ ADORA2A P29274 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ CYP2D6 P10635 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ KCNA1 Q09470 1/20 0.34
▸ AAK1 Q2M2I8 1/20 0.34
▸ MAP4K4 O95819 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
SCHEMBL27928718 0.74 MKNK1 (0.58) FYNCHEK2MAP4K4
SCHEMBL16719942 0.73 MAPT (0.40) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL11127668 0.69 MAP4K4 (0.58) FYNCHEK2MAPTLMNASMN1; SMN2
SCHEMBL29442167 0.69 MAP4K4 (0.58) FYNCHEK2MAPTLMNASMN1; SMN2
SCHEMBL6068337 0.68 DGAT1 (0.61) FYNCHEK2MAPTLMNASMN1; SMN2
SCHEMBL9958013 0.67 MAPT (0.43) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL27343606 0.67 MAPT (0.39) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL16667750 0.66 MAPT (0.48) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL5973721 0.65 MAPT (0.47) FYNCHEK2MAPTLMNASMN1; SMN2
SCHEMBL23143466 0.64 LMNA (0.46) MAPTLMNASMN1; SMN2ADORA2AADORA1

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
US-8022205-B2 Pyrimidine derivatives as PI3K inhibitor and use thereof CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-09-20 — — US disclosed
US-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-03-18 — — US disclosed
EP-2050749-A1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-04-22 — — 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 (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-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF PIK3CA, AKT3, AKT1 FYN 263/4885CHEK2 69/4885MAPT 4385/4885

“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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