SCHEMBL21178740

SCHEMBL21178740

COc1ccc(CNc2ncnc3c2c(I)cn3C(C)C)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 16/20 0.47
▸ CYP3A4 P08684 16/20 0.47
▸ CYP2C19 P33261 16/20 0.47
▸ TSHR P16473 14/20 0.47
▸ CYP2D6 P10635 14/20 0.47
▸ ALDH1A1 P00352 11/20 0.47
▸ CLK4 Q9HAZ1 11/20 0.47
▸ HSD17B10 Q99714 10/20 0.47
▸ CYP2C9 P11712 8/20 0.47
▸ MAPK1 P28482 5/20 0.47
▸ USP2 O75604 6/20 0.46
▸ LMNA P02545 9/20 0.46
▸ HIF1A Q16665 4/20 0.46
▸ MAPT P10636 1/20 0.46
▸ CCNB2 O95067 1/20 0.46
▸ CDK1 P06493 1/20 0.46
▸ CCNB1 P14635 1/20 0.46
▸ CCNB3 Q8WWL7 1/20 0.46
▸ ALOX15 P16050 5/20 0.46
▸ MEN1 O00255 4/20 0.46

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
SCHEMBL27217728 0.87 CYP1A2 (0.49) CYP1A2CYP3A4CYP2C19TSHRCYP2D6
SCHEMBL30813495 0.87 CYP1A2 (0.49) CYP1A2CYP3A4CYP2C19TSHRCYP2D6
SCHEMBL27217635 0.84 CYP1A2 (0.49) CYP1A2CYP3A4CYP2C19TSHRCYP2D6
SCHEMBL30813523 0.84 CYP1A2 (0.49) CYP1A2CYP3A4CYP2C19TSHRCYP2D6
SCHEMBL30813471 0.82 CYP1A2 (0.43) CYP1A2CYP3A4CYP2C19TSHRCYP2D6
SCHEMBL27217965 0.82 CYP1A2 (0.43) CYP1A2CYP3A4CYP2C19TSHRCYP2D6
SCHEMBL21801347 0.79 CYP1A2 (0.44) CYP1A2CYP3A4CYP2C19TSHRCYP2D6
SCHEMBL21801402 0.79 CYP1A2 (0.44) CYP1A2CYP3A4CYP2C19TSHRCYP2D6
SCHEMBL30364043 0.78 RET (0.55) CYP1A2CYP3A4CYP2C19TSHRCYP2D6
SCHEMBL30813386 0.78 CYP1A2 (0.41) CYP1A2CYP3A4CYP2C19TSHRCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240158394-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. 2024-05-16 — — US disclosed
WO-2024059200-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. (US) 2024-03-21 — — WO disclosed
CN-111971286-B Substituted pyrrolo [2,3-d ] pyrimidine compounds as RET kinase inhibitors 阿雷生物药品公司 2023-04-14 — — CN disclosed
US-11603374-B2 Substituted pyrrolo[2,3-d]pyrimidines compounds as ret kinase inhibitors ARRAY BIOPHARMA INC. (US) 2023-03-14 — — US disclosed
EP-3740491-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES COMPOUNDS AS RET KINASE INHIBITORS Array Biopharma, Inc. (US) 2020-11-25 — — EP disclosed
CN-111971286-A Substituted pyrrolo [2,3-d ] pyrimidine compounds as RET kinase inhibitors 阿雷生物药品公司 2020-11-20 — — CN disclosed
US-20200339589-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2020-10-29 — — US disclosed
WO-2019143977-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES COMPOUNDS 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 (3 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-20200339589-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, FGFR3 CYP1A2 3782/4885CYP3A4 4247/4885CYP2C19 3234/4885
US-20240158394-A1 NEK7 INHIBITORS NEK7, NEK5, NEK1 CYP1A2 4011/4885CYP3A4 3360/4885CYP2C19 4680/4885
US-11603374-B2 Substituted pyrrolo[2,3-d]pyrimidines compounds as ret kinase inhibitors RET, ROR1, FGFR3 CYP1A2 3782/4885CYP3A4 4247/4885CYP2C19 3234/4885

“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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