SCHEMBL24251715

SCHEMBL24251715

C=C(C)CNc1ccc(C)nc1I

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
S1PR4 O95977 1/20 0.31
GRM1 Q13255 1/20 0.30
ALDH1A1 P00352 2/20 0.30
KDM4E B2RXH2 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL24251705 0.83 CCNA2 (0.33) CCNA2CDK2GRM1ALDH1A1KDM4E
SCHEMBL20680456 0.82 CCNA2 (0.34) CCNA2CDK2GRM1ALDH1A1
SCHEMBL29598023 0.82 CCNA2 (0.34) CCNA2CDK2GRM1ALDH1A1
SCHEMBL24496622 0.82 CCNA2 (0.32) CCNA2CDK2GRM1
SCHEMBL24996463 0.80 LMNA (0.34) CCNA2CDK2
SCHEMBL24251776 0.76 IAPP (0.45) CCNA2CDK2GRM1ALDH1A1KDM4E
SCHEMBL30276222 0.73 KMT2A (0.35) CCNA2CDK2GRM1ALDH1A1HTT
SCHEMBL24496547 0.73 KMT2A (0.35) CCNA2CDK2GRM1ALDH1A1HTT
SCHEMBL24496570 0.73 CYP1A2 (0.31)
SCHEMBL24251664 0.70 CYP1A2 (0.37) CCNA2CDK2GRM1ALDH1A1KDM4E

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-20240327402-A1 PYRIMIDINE OR PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF IN PHARMACY ABBISKO THERAPEUTICS CO., LTD. (CN) 2024-10-03 US disclosed
EP-4382511-A1 PYRIMIDINE OR PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF IN PHARMACY Abbisko Therapeutics Co., Ltd. (CN) 2024-06-12 EP disclosed
CN-117440945-A Pyrimidine or pyridine derivative, preparation method thereof and application thereof in pharmacy 上海和誉生物医药科技有限公司 2024-01-23 CN disclosed
CN-115836064-A Triazine derivative with EGFR (epidermal growth factor receptor) inhibitory activity and preparation method and application thereof 上海和誉生物医药科技有限公司 2023-03-21 CN disclosed
WO-2023011505-A1 PYRIMIDINE OR PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF IN PHARMACY 上海和誉生物医药科技有限公司 2023-02-09 WO disclosed
WO-2022033455-A1 TRIAZINE DERIVATIVE HAVING EGFR INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR AND USE THEREOF 上海和誉生物医药科技有限公司 2022-02-17 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 (1 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-20240327402-A1 PYRIMIDINE OR PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF IN PHARMACY WEE1, WEE2, EGFR CCNA2 1749/4885CDK2 131/4885S1PR4 3676/4885

“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.