SCHEMBL2547779

SCHEMBL2547779

CCOC(=O)C1CC=C(c2ncccn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 2/20 0.48
CCNT1 O60563 1/20 0.48
CYP2C19 P33261 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
GAA P10253 1/20 0.43
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
ALOX12 P18054 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
KMT2A Q03164 1/20 0.41
RELA Q04206 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RORC P51449 1/20 0.41
LIMK1 P53667 1/20 0.39

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
SCHEMBL2547781 1.00 CDK9 (0.48) CDK9CCNT1CYP2C19ALOX15TSHR
SCHEMBL2526250 0.86 ALDH1A1 (0.49) CDK9CCNT1CYP2C19ALOX15TSHR
SCHEMBL2526248 0.86 ALDH1A1 (0.49) CDK9CCNT1CYP2C19ALOX15TSHR
SCHEMBL30462020 0.86 ALDH1A1 (0.49) CDK9CCNT1CYP2C19ALOX15TSHR
SCHEMBL16792332 0.85 CDK9 (0.43) CDK9CCNT1ALOX15TSHRMAPK1
SCHEMBL2541371 0.83 CDK9 (0.44) CDK9CCNT1CYP2C19ALOX15TSHR
SCHEMBL2541374 0.83 CDK9 (0.44) CDK9CCNT1CYP2C19ALOX15TSHR
SCHEMBL2538455 0.83 CDK9 (0.47) CDK9CCNT1CYP2C19ALOX15TSHR
SCHEMBL2522856 0.83 CDK9 (0.49) CDK9CCNT1CYP2C19ALOX15TSHR
SCHEMBL2538449 0.83 CDK9 (0.47) CDK9CCNT1CYP2C19ALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4741386-A1 PYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF Jiangsu Yahong Meditech Co., Ltd. (CN) 2026-05-13 EP disclosed
US-20250289799-A1 PYRIMIDINE COMPOUND, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL USE THEREOF JIANGSU YAHONG MEDITECH CO., LTD. (CN) 2025-09-18 US disclosed
EP-4516779-A1 PYRIMIDINE COMPOUND, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL USE THEREOF Jiangsu Yahong Meditech Co., Ltd. (CN) 2025-03-05 EP disclosed
WO-2025007777-A1 PYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 江苏亚虹医药科技股份有限公司 2025-01-09 WO disclosed
CN-118660872-A Pyrimidine compound, preparation method and medical application thereof 江苏亚虹医药科技股份有限公司 2024-09-17 CN disclosed
WO-2023208130-A1 PYRIMIDINE COMPOUND, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL USE THEREOF 江苏亚虹医药科技股份有限公司 2023-11-02 WO disclosed
CN-116496252-A Pyrimidine compound, preparation method and medical application thereof 江苏亚虹医药科技股份有限公司 2023-07-28 CN disclosed
EP-2560975-B1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES AS VASOPRESSIN V1A RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2015-06-17 EP disclosed
US-8492376-B2 Heteroaryl-cyclohexyl-tetraazabenzo[e]azulenes HOFFMANN-LA ROCHE INC. (US) 2013-07-23 US disclosed
US-8492376-B2 Heteroaryl-cyclohexyl-tetraazabenzo[e]azulenes HOFFMANN-LA ROCHE INC. (US) 2013-07-23 US disclosed
EP-2560975-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES AS VASOPRESSIN V1A RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2013-02-27 EP disclosed
WO-2011131596-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES AS VASOPRESSIN V1A RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2011-10-27 WO disclosed
US-20110263578-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES HOFFMANN-LA ROCHE, INC. 2011-10-27 US disclosed
US-20110263578-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES HOFFMANN-LA ROCHE, INC. 2011-10-27 US disclosed
US-20110263578-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES HOFFMANN-LA ROCHE, INC. 2011-10-27 US 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-20110263578-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES AVPR1A, AVPR1B, OXTR CDK9 3225/4885CCNT1 1676/4885CYP2C19 225/4885
US-20250289799-A1 PYRIMIDINE COMPOUND, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL USE THEREOF USP1, UPP1, UFL1 CDK9 342/4885CCNT1 194/4885CYP2C19 646/4885

“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.