SCHEMBL25175972

SCHEMBL25175972

C[Si](C)(C)CCOCn1nc2cccc([N+](=O)[O-])c2c1F

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.33
▸ F2RL1 P55085 1/20 0.32
▸ EGFR P00533 1/20 0.32
▸ P2RX7 Q99572 1/20 0.32
▸ DGAT1 O75907 2/20 0.32
▸ POLB P06746 2/20 0.32
▸ TXNRD1 Q16881 1/20 0.32
▸ TXNRD3 Q86VQ6 1/20 0.32
▸ TXNRD2 Q9NNW7 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.31
▸ CHRM2 P08172 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ DRD2 P14416 1/20 0.31
▸ ADRA2B P18089 1/20 0.31
▸ ADRA2C P18825 1/20 0.31
▸ CHRM3 P20309 1/20 0.31
▸ MAOA P21397 1/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ HTR2C P28335 1/20 0.31
▸ ADORA2A P29274 1/20 0.31

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
SCHEMBL25173418 0.82 NPC1 (0.32) ALDH1A1F2RL1DGAT1TDP1NPC1
SCHEMBL4718492 0.74 ALDH1A1 (0.39) ALDH1A1POLBTDP1NPC1RAB9A
SCHEMBL31651553 0.74 F2RL1 (0.35) F2RL1P2RX7DGAT1
SCHEMBL15122465 0.73 FGFR1 (0.48) ALDH1A1POLBNPC1RAB9ARECQL
SCHEMBL4718604 0.73 TDP1 (0.37) ALDH1A1POLBTDP1ADORA2ANPC1
SCHEMBL28137694 0.72 ALDH1A1 (0.42) ALDH1A1EGFRPOLBTXNRD1TXNRD3
SCHEMBL11890425 0.70 PTGS1 (0.46) ALDH1A1DGAT1TXNRD1TDP1RAB9A
SCHEMBL30964018 0.70 L3MBTL1 (0.43) ALDH1A1EGFRTDP1NPC1RAB9A
SCHEMBL29540761 0.69 ALDH1A1 (0.42) ALDH1A1EGFRHTR2AHTR2CNPC1
SCHEMBL29541893 0.69 CNR2 (0.39) ALDH1A1EGFRNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230142913-A1 TRICYCLIC HETEROARENES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND METHODS OF USING THE SAME REPARE THERAPEUTICS INC. (CA) 2023-05-11 — — 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-20230142913-A1 TRICYCLIC HETEROARENES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND METHODS OF USING THE SAME CDK1, CSNK1A1, CSNK1G1 ALDH1A1 4307/4885F2RL1 3648/4885EGFR 2180/4885

“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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