SCHEMBL21179084

SCHEMBL21179084

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 13/20 0.51
▸ CYP3A4 P08684 13/20 0.51
▸ CYP2C19 P33261 13/20 0.51
▸ CYP2D6 P10635 11/20 0.45
▸ TSHR P16473 10/20 0.45
▸ CYP2C9 P11712 7/20 0.45
▸ MAPK1 P28482 6/20 0.45
▸ USP2 O75604 5/20 0.45
▸ HSD17B10 Q99714 5/20 0.45
▸ ALOX15 P16050 3/20 0.45
▸ ALDH1A1 P00352 9/20 0.44
▸ CLK4 Q9HAZ1 5/20 0.44
▸ LMNA P02545 5/20 0.44
▸ HIF1A Q16665 4/20 0.44
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ RET P07949 2/20 0.41
▸ CSF1R P07333 2/20 0.41
▸ PDGFRB P09619 2/20 0.41
▸ PDE9A O76083 1/20 0.41

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
SCHEMBL21178998 0.88 RET (0.43) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL21178913 0.88 RET (0.58) CYP1A2CYP3A4CYP2C19RET
SCHEMBL29897201 0.88 RET (0.58) CYP1A2CYP3A4CYP2C19RET
SCHEMBL21179086 0.86 RET (0.58) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL22581153 0.83 CYP1A2 (0.46) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL21179165 0.82 RET (0.58) CYP1A2CYP3A4CYP2C19RET
SCHEMBL21179035 0.81 RET (0.49) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL21178980 0.80 RET (0.60) CYP1A2CYP3A4CYP2C19RET
SCHEMBL21179098 0.80 RET (0.63) CYP1A2CYP3A4CYP2C19RET
SCHEMBL29897216 0.80 RET (0.60) CYP1A2CYP3A4CYP2C19RET

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 6 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
CN-111615514-B Substituted pyrazolo [4,3-C ] pyridine compounds as RET kinase inhibitors 奥瑞生物药品公司 2022-10-11 — — CN 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
CN-111615514-A Substituted pyrazolo [4,3-C ] pyridine compounds as RET kinase inhibitors 奥瑞生物药品公司 2020-09-01 — — CN 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 CYP1A2 3855/4885CYP3A4 3471/4885CYP2C19 3383/4885
US-11472802-B2 Substituted pyrazolyl[4,3-c]pyridine compounds as RET kinase inhibitors RET, ROR1, BRAF CYP1A2 3855/4885CYP3A4 3471/4885CYP2C19 3383/4885

“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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