SCHEMBL26424745

SCHEMBL26424745

Cc1cc(-c2ccccn2)ccc1C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ CYP1A2 P05177 2/20 0.42
▸ POLB P06746 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ CCR1 P32246 1/20 0.42
▸ CCR5 P51681 1/20 0.42
▸ CCR8 P51685 1/20 0.42
▸ METAP1 P53582 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ DOHH Q9BU89 1/20 0.42
▸ P4HTM Q9NXG6 1/20 0.42
▸ TRPV1 Q8NER1 1/20 0.42
▸ PDK2 Q15119 1/20 0.41
▸ SQOR Q9Y6N5 1/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ BCR P11274 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP19A1 P11511 1/20 0.41

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
SCHEMBL26426730 0.82 KDM4E (0.47) KDM4ECYP1A2POLBLMNACCR1
SCHEMBL23525619 0.82 TRPV1 (0.41) KDM4ENPC1CYP1A2POLBLMNA
SCHEMBL7662434 0.80 KDM4E (0.56) KDM4ENPC1CYP1A2POLBLMNA
SCHEMBL18645757 0.80 CYP1A2 (0.59) KDM4ENPC1CYP1A2POLBLMNA
SCHEMBL11124529 0.79 ALDH1A1 (0.46) KDM4ENPC1CYP1A2POLBLMNA
SCHEMBL2754785 0.79 PIK3CD (0.46) KDM4ECYP1A2POLBLMNACCR1
SCHEMBL25455763 0.76 NPC1 (0.47) KDM4ENPC1CYP1A2POLBLMNA
SCHEMBL172718 0.76 HSD17B1 (0.51) KDM4ENPC1CYP1A2POLBLMNA
SCHEMBL16792550 0.76 TSHR (0.55) KDM4ENPC1CYP1A2POLBLMNA
SCHEMBL18015401 0.76 NPC1 (0.54) KDM4ENPC1CYP1A2POLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230130909-A1 HPK1 INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2023-04-27 — — 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 (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-20230130909-A1 HPK1 INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF WEE2, WEE1, HK1 KDM4E 3982/4885NPC1 239/4885CYP1A2 1808/4885

“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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