SCHEMBL23344092

SCHEMBL23344092

CC(c1cccc(-c2ncc(OCC3CCN(C)CC3)cn2)c1)n1nc(-c2cccc(C#N)c2)ccc1=O

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 17/20 0.72
▸ NQO2 P16083 1/20 0.72
▸ CREBBP Q92793 1/20 0.39
▸ VNN1 O95497 1/20 0.39
▸ CXCR1 P25024 1/20 0.38

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
SCHEMBL23344103 1.00 MET (0.72) METNQO2CREBBPVNN1CXCR1
SCHEMBL23344105 1.00 MET (0.72) METNQO2CREBBPVNN1CXCR1
Tepotinib SCHEMBL1296895 0.83 MET (1.00) METNQO2
Tepotinib SCHEMBL29379106 0.83 MET (1.00) METNQO2
Tepotinib SCHEMBL29550043 0.83 MET (0.98) METNQO2
Tepotinib SCHEMBL1296467 0.83 MET (0.98) METNQO2
Tepotinib SCHEMBL1295616 0.83 MET (0.98) METNQO2
Tepotinib SCHEMBL30259391 0.83 MET (0.98) METNQO2
SCHEMBL21264639 0.82 MET (0.81) METNQO2CREBBPVNN1CXCR1
SCHEMBL21322208 0.82 MET (0.81) METNQO2CREBBPVNN1CXCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365532-A1 PYRIMIDINE DERIVATIVE AND PREPARATION PROCESS AND USE THEREOF Guangdong CS-Lewwin Drug Research Co., Ltd. (CN) 2023-11-16 — — US disclosed
US-20230365532-A1 PYRIMIDINE DERIVATIVE AND PREPARATION PROCESS AND USE THEREOF Guangdong CS-Lewwin Drug Research Co., Ltd. (CN) 2023-11-16 — — US disclosed
US-20210139464-A1 PYRIMIDINE DERIVATIVE CONTAINING ONE DEUTERIUM ATOM AND PREPARATION PROCESS AND USE THEREOF Guangdong CS-Lewwin Drug Research Co., Ltd. (CN) 2021-05-13 — — 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-20210139464-A1 PYRIMIDINE DERIVATIVE CONTAINING ONE DEUTERIUM ATOM AND PREPARATION PROCESS AND USE THEREOF DUT, TYMP, DCTD MET 1807/4885NQO2 758/4885CREBBP 2266/4885
US-20230365532-A1 PYRIMIDINE DERIVATIVE AND PREPARATION PROCESS AND USE THEREOF MTR, HCCS, MET MET 3/4885NQO2 2197/4885CREBBP 2088/4885

“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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