SCHEMBL21179086

SCHEMBL21179086

COc1ccc(CNc2nccc3c2c(-c2noc(C)c2-c2ccccn2)nn3C(C)C)c(OC)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 5/20 0.58
▸ CYP1A2 P05177 14/20 0.51
▸ CYP3A4 P08684 14/20 0.51
▸ CYP2C19 P33261 14/20 0.51
▸ CYP2D6 P10635 12/20 0.46
▸ TSHR P16473 10/20 0.46
▸ CYP2C9 P11712 6/20 0.46
▸ USP2 O75604 6/20 0.46
▸ MAPK1 P28482 5/20 0.46
▸ HSD17B10 Q99714 3/20 0.46
▸ ALOX15 P16050 3/20 0.46
▸ ALDH1A1 P00352 6/20 0.46
▸ CLK4 Q9HAZ1 4/20 0.43
▸ HIF1A Q16665 3/20 0.43
▸ LMNA P02545 3/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ PKM P14618 1/20 0.40

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
SCHEMBL21179163 0.89 RET (0.60) RETCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL21179084 0.86 CYP1A2 (0.51) RETCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL28463627 0.82 CYP1A2 (0.43) RETCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL21178952 0.79 RET (0.57) RETCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL21178998 0.79 RET (0.43) RETCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL21178913 0.79 RET (0.58) RETCYP1A2CYP3A4CYP2C19
SCHEMBL21179165 0.79 RET (0.58) RETCYP1A2CYP3A4CYP2C19
SCHEMBL29897201 0.79 RET (0.58) RETCYP1A2CYP3A4CYP2C19
SCHEMBL21179022 0.78 RET (0.48) RETCYP1A2CYP3A4CYP2C19
SCHEMBL21178980 0.77 RET (0.60) 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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