SCHEMBL26314517

SCHEMBL26314517

Cc1ccccc1-c1[nH]c(=O)nc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 2/20 0.47
▸ TNKS2 Q9H2K2 2/20 0.47
▸ ADORA2A P29274 1/20 0.46
▸ NPC1 O15118 4/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ RAB9A P51151 4/20 0.45
▸ HPGD P15428 3/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ HTT P42858 1/20 0.45
▸ CYP1A2 P05177 2/20 0.44
▸ CYP2D6 P10635 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ CLK4 Q9HAZ1 2/20 0.44
▸ TSHR P16473 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ USP2 O75604 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44

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
SCHEMBL24108930 0.79 TLR9 (0.43) ALDH1A1CYP1A2CYP2D6CLK4TSHR
SCHEMBL29796763 0.75 TNKS2 (0.56) PARP1TNKS2NPC1ALDH1A1RAB9A
SCHEMBL1461157 0.74 GUSB (0.68) PARP1TNKS2NPC1ALDH1A1RAB9A
SCHEMBL29784109 0.74 GUSB (0.68) PARP1TNKS2NPC1ALDH1A1RAB9A
SCHEMBL913682 0.71 C1R (0.68) NPC1RAB9AELANEMAPTMEN1
SCHEMBL19608972 0.70 ADORA2A (0.56) ADORA2ANPC1ALDH1A1RAB9AHPGD
SCHEMBL27635892 0.68 GUSB (0.62) PARP1TNKS2NPC1ALDH1A1RAB9A
SCHEMBL29900574 0.68 GUSB (0.62) PARP1TNKS2NPC1ALDH1A1RAB9A
SCHEMBL5477868 0.68 MAPT (0.53) PARP1TNKS2ADORA2ANPC1ALDH1A1
SCHEMBL23283896 0.66 CYP1A2 (0.58) ADORA2ANPC1ALDH1A1RAB9AHPGD

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-20230257359-A1 4-ARYLQUINAZOLINE DERIVATIVES AS METHIONINE ADENOSYLTRANSFERASE 2A INHIBITORS IDEAYA BIOSCIENCES, INC. 2023-08-17 — — US disclosed
US-20230257359-A1 4-ARYLQUINAZOLINE DERIVATIVES AS METHIONINE ADENOSYLTRANSFERASE 2A INHIBITORS IDEAYA BIOSCIENCES, INC. 2023-08-17 — — 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-20230257359-A1 4-ARYLQUINAZOLINE DERIVATIVES AS METHIONINE ADENOSYLTRANSFERASE 2A INHIBITORS MAT2A, MAT2B, MAT1A PARP1 686/4885TNKS2 225/4885ADORA2A 67/4885

“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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