SCHEMBL21178737

SCHEMBL21178737

CCOC(=O)c1c(-c2cn(C(C)C)c3ncnc(NCc4ccc(OC)cc4OC)c23)noc1C1CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 5/20 0.48
▸ MAPT P10636 2/20 0.45
▸ CYP1A2 P05177 6/20 0.42
▸ CYP3A4 P08684 6/20 0.42
▸ CYP2C19 P33261 6/20 0.42
▸ CYP2D6 P10635 4/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ LMNA P02545 3/20 0.39
▸ CLK4 Q9HAZ1 3/20 0.39
▸ USP2 O75604 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ SLC26A6 Q9BXS9 1/20 0.38
▸ TSHR P16473 3/20 0.37
▸ HSD17B10 Q99714 3/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ POLB P06746 1/20 0.36

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
Hydrochloric Acid SCHEMBL21178768 0.91 RET (0.50) RETMAPTCYP1A2CYP3A4CYP2C19
SCHEMBL21178863 0.91 RET (0.60) RETCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL24345188 0.85 MAPT (0.43) RETMAPTCYP1A2CYP3A4CYP2C19
SCHEMBL21801365 0.82 MAPT (0.41) RETMAPTCYP1A2CYP3A4CYP2C19
SCHEMBL21801583 0.82 MAPT (0.40) RETMAPTCYP1A2CYP3A4CYP2C19
SCHEMBL21801581 0.81 MAPT (0.40) RETMAPTCYP1A2CYP3A4CYP2C19
SCHEMBL21179137 0.81 RET (0.50) RETMAPTCYP1A2CYP3A4CYP2C19
SCHEMBL29897192 0.81 RET (0.50) RETMAPTCYP1A2CYP3A4CYP2C19
SCHEMBL30364043 0.80 RET (0.55) RETMAPTCYP1A2CYP3A4CYP2C19
SCHEMBL24345334 0.79 CYP1A2 (0.41) RETMAPTCYP1A2CYP3A4CYP2C19

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
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 (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-20200339589-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, FGFR3 RET 1/4885MAPT 245/4885CYP1A2 3782/4885
US-11603374-B2 Substituted pyrrolo[2,3-d]pyrimidines compounds as ret kinase inhibitors RET, ROR1, FGFR3 RET 1/4885MAPT 245/4885CYP1A2 3782/4885

“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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