SCHEMBL26686776

SCHEMBL26686776

Clc1ccnc2[nH]c(CC3CCCCN3)cc12

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.43
▸ POLB P06746 1/20 0.40
▸ CCNK O75909 2/20 0.39
▸ CDK12 Q9NYV4 2/20 0.39
▸ CDC7 O00311 1/20 0.38
▸ PIM1 P11309 1/20 0.38
▸ CDK9 P50750 1/20 0.38
▸ LTA4H P09960 3/20 0.37
▸ CCR4 P51679 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HIF1A Q16665 1/20 0.35

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
SCHEMBL26686492 0.82 KDM5B (0.46) CDC7PIM1CDK9
SCHEMBL26686782 0.78 CDK9 (0.45) HRH3CDC7PIM1CDK9
SCHEMBL26686464 0.75 CDK9 (0.51) POLBCDC7PIM1CDK9CYP1A2
SCHEMBL26889142 0.74 HTT (0.42) HRH3POLBCDC7PIM1CDK9
SCHEMBL26686463 0.74 CDK9 (0.42) CCNKCDK12CDC7PIM1CDK9
SCHEMBL26686140 0.74 DAO (0.39) CCNKCDK12CDC7PIM1CDK9
SCHEMBL2010528 0.73 CHRNB2 (0.45) CYP1A2CYP2D6CYP2C19SMN1; SMN2HIF1A
SCHEMBL2009217 0.73 CHRNB2 (0.45) CYP1A2CYP2D6CYP2C19SMN1; SMN2HIF1A
SCHEMBL2009034 0.73 CHRNB2 (0.45) CYP1A2CYP2D6CYP2C19SMN1; SMN2HIF1A
SCHEMBL26686419 0.71 CDK9 (0.44) HRH3CCNKCDK12CDC7PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250304576-A1 IKK INHIBITORS CANCER RESEARCH TECH LTD (GB) 2025-10-02 — — US disclosed
EP-4522597-A1 IKK INHIBITORS Cancer Research Technology Limited (GB) 2025-03-19 — — EP disclosed
CN-119562945-A IKK inhibitors 癌症研究技术有限公司 2025-03-04 — — CN disclosed
WO-2023218201-A1 IKK INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2023-11-16 — — 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-20250304576-A1 IKK INHIBITORS NFKBIA, IKBKE, IKBKB HRH3 3648/4885POLB 903/4885CCNK 222/4885

“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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