SCHEMBL18130712

SCHEMBL18130712

CC(C)(C)c1cc(F)c(C(=O)Cl)c(Br)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 3/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ TSHR P16473 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ RAB9A P51151 3/20 0.33
▸ GAA P10253 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ GABRA1 P14867 1/20 0.32

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
SCHEMBL18130729 0.84 GLRA3 (0.39) HIF1ACYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL18130724 0.83 DGAT1 (0.36) HIF1ACYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL18130728 0.80 NOTUM (0.40) HIF1ACYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL13763260 0.74 GLRA3 (0.45) HSD17B10CYP3A4ALOX15TDP1RAB9A
SCHEMBL16408244 0.70 CES2 (0.45) ALDH1A1ALOX15GAAMAPTRXRA
SCHEMBL17781486 0.69 RXRB (0.44) ALDH1A1CYP3A4MAPTRXRARXRB
SCHEMBL21695140 0.69 NOTUM (0.41) HIF1ACYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL13763261 0.69 CA1 (0.39) ALDH1A1CYP3A4HPGDTDP1RAB9A
SCHEMBL1085223 0.69 DGAT1 (0.41) ALDH1A1ALOX15RAB9AGAAMAPT
SCHEMBL3652875 0.68 CA1 (0.46) HIF1ACYP2C9CYP1A2CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3280419-B1 INDAZOLE AND AZAINDAZOLE BTK INHIBITORS MERCK SHARP & DOHME (US) 2019-10-30 — — EP disclosed
US-10246457-B2 Indazole and azaindazole Btk inhibitors MERCK SHARP & DOHME CORP. (US) 2019-04-02 — — US disclosed
US-20180127411-A1 INDAZOLE AND AZAINDAZOLE BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-05-10 — — US disclosed
EP-3280419-A1 INDAZOLE AND AZAINDAZOLE BTK INHIBITORS Merck Sharp & Dohme Corp. (US) 2018-02-14 — — EP disclosed
WO-2016164285-A1 INDAZOLE AND AZAINDAZOLE BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-10-13 — — 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 (2 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-20180127411-A1 INDAZOLE AND AZAINDAZOLE BTK INHIBITORS BTK, SYK, ABL1 HIF1A 4549/4885CYP2C9 561/4885CYP1A2 1474/4885
US-10246457-B2 Indazole and azaindazole Btk inhibitors BTK, SYK, ABL1 HIF1A 4549/4885CYP2C9 561/4885CYP1A2 1474/4885

“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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