SCHEMBL21178998

SCHEMBL21178998

COc1ccc(CNc2nccc3c2c(-c2noc(C(C)(C)O)c2I)nn3C(C)C)c(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 3/20 0.43
▸ CYP1A2 P05177 12/20 0.42
▸ CYP3A4 P08684 12/20 0.42
▸ CYP2C19 P33261 12/20 0.42
▸ CYP2D6 P10635 11/20 0.40
▸ CYP2C9 P11712 6/20 0.40
▸ CLK4 Q9HAZ1 3/20 0.40
▸ TSHR P16473 9/20 0.40
▸ ALDH1A1 P00352 6/20 0.40
▸ USP2 O75604 3/20 0.40
▸ MAPK1 P28482 4/20 0.38
▸ LMNA P02545 3/20 0.38
▸ HIF1A Q16665 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HSD17B10 Q99714 5/20 0.37
▸ ALOX15 P16050 4/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ KDM4C Q9H3R0 1/20 0.37

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
SCHEMBL21179084 0.88 CYP1A2 (0.51) RETCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL21179163 0.88 RET (0.60) RETCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL21178913 0.85 RET (0.58) RETCYP1A2CYP3A4CYP2C19
SCHEMBL29897201 0.85 RET (0.58) RETCYP1A2CYP3A4CYP2C19
SCHEMBL22581153 0.80 CYP1A2 (0.46) CYP1A2CYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL29897216 0.79 RET (0.60) RETCYP1A2CYP3A4CYP2C19
SCHEMBL21178980 0.79 RET (0.60) RETCYP1A2CYP3A4CYP2C19
SCHEMBL21179086 0.79 RET (0.58) RETCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL21179165 0.79 RET (0.58) RETCYP1A2CYP3A4CYP2C19
SCHEMBL31639723 0.78 RET (0.46) RETCYP1A2CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11472802-B2 Substituted pyrazolyl[4,3-c]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2022-10-18 — — US disclosed
EP-3740486-A1 SUBSTITUTED PYRAZOLYL[4,3-C]PYRIDINECOMPOUNDS AS RET KINASE INHIBITORS Array Biopharma, Inc. (US) 2020-11-25 — — EP disclosed
US-20200339579-A1 SUBSTITUTED PYRAZOLYL[4,3-C]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2020-10-29 — — US disclosed
WO-2019143994-A1 SUBSTITUTED PYRAZOLYL[4,3-C]PYRIDINECOMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2019-07-25 — — 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-20200339579-A1 SUBSTITUTED PYRAZOLYL[4,3-C]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF RET 1/4885CYP1A2 3855/4885CYP3A4 3471/4885
US-11472802-B2 Substituted pyrazolyl[4,3-c]pyridine compounds as RET kinase inhibitors RET, ROR1, BRAF RET 1/4885CYP1A2 3855/4885CYP3A4 3471/4885

“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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