SCHEMBL12307442

SCHEMBL12307442

CNC(=O)Nc1cc2n(n1)CCN2C(=O)c1ccccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 1/20 0.39
▸ HTT P42858 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HTR1A P08908 1/20 0.37
▸ HTR1D P28221 1/20 0.37
▸ HTR1B P28222 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ RAB9A P51151 4/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ F2 P00734 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL12307459 0.88 GRM5 (0.37) GRM5HTTALDH1A1LMNAKMT2A
SCHEMBL12307479 0.85 PLK1 (0.41) HTTALDH1A1LMNAKMT2ARAB9A
SCHEMBL12307453 0.85 ALDH1A1 (0.46) HTTALDH1A1RXFP1KMT2ARAB9A
SCHEMBL12307391 0.84 GRM5 (0.45) GRM5ALDH1A1HPGDKMT2ARAB9A
SCHEMBL12307444 0.82 ALDH1A1 (0.41) GRM5ALDH1A1KDM4E
SCHEMBL12307393 0.82 L3MBTL1 (0.43) HTTALDH1A1L3MBTL1LMNARAB9A
SCHEMBL12307461 0.82 GRM5 (0.44) GRM5ALDH1A1HPGDLMNARAB9A
SCHEMBL12307443 0.82 MAPK1 (0.40) GRM5ALDH1A1KMT2ARAB9ANPC1
SCHEMBL12307528 0.80 RBP4 (0.39) ALDH1A1L3MBTL1KMT2ARAB9ASMN1; SMN2
SCHEMBL12307481 0.78 TP53 (0.46) LMNARAB9ASMN1; SMN2NPC1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110230472-A1 RING-FUSED AZOLE DERIVATIVE HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2011-09-22 — — US disclosed
US-20110230472-A1 RING-FUSED AZOLE DERIVATIVE HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2011-09-22 — — US 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-20110230472-A1 RING-FUSED AZOLE DERIVATIVE HAVING PI3K-INHIBITING ACTIVITY PIK3R5, PIK3R4, PIK3R1 GRM5 1849/4885HTT 3749/4885ALDH1A1 3559/4885

“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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