SCHEMBL27185204

SCHEMBL27185204

Cc1ncc(NC(=O)CNCC2CC2)cc1NC(=O)c1cnn2cc(-c3cnn4c3CCC4)sc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLQ O75417 1/20 0.39
▸ NTRK1 P04629 1/20 0.33
▸ CDK9 P50750 10/20 0.33
▸ CCNT1 O60563 5/20 0.33
▸ HSD17B13 Q7Z5P4 1/20 0.32
▸ KIT P10721 1/20 0.31
▸ CDK1 P06493 1/20 0.31
▸ CDK4 P11802 1/20 0.31
▸ CCNB1 P14635 1/20 0.31
▸ CCNE1 P24864 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ CDK7 P50613 1/20 0.31
▸ CCNH P51946 1/20 0.31
▸ MNAT1 P51948 1/20 0.31
▸ CDK3 Q00526 1/20 0.31
▸ CDK6 Q00534 1/20 0.31
▸ CDK5 Q00535 1/20 0.31
▸ CHRM1 P11229 1/20 0.30
▸ PDGFRA P16234 1/20 0.30
▸ HRH3 Q9Y5N1 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
SCHEMBL29760080 1.00 POLQ (0.39) POLQNTRK1CDK9CCNT1HSD17B13
SCHEMBL29760162 0.91 POLQ (0.37) POLQNTRK1CDK9CCNT1KIT
SCHEMBL29759447 0.91 POLQ (0.37) POLQNTRK1CDK9CCNT1KIT
SCHEMBL24579069 0.91 POLQ (0.37) POLQNTRK1CDK9CCNT1KIT
SCHEMBL27185021 0.91 POLQ (0.37) POLQNTRK1KITCHRM1PDGFRA
SCHEMBL29760155 0.91 POLQ (0.37) POLQNTRK1KITCHRM1PDGFRA
SCHEMBL27184984 0.91 POLQ (0.37) POLQNTRK1KITCHRM1PDGFRA
SCHEMBL29759887 0.91 POLQ (0.37) POLQNTRK1KITCHRM1PDGFRA
SCHEMBL29759606 0.89 POLQ (0.37) POLQNTRK1CDK9CCNT1KIT
SCHEMBL29759976 0.89 POLQ (0.37) POLQNTRK1CDK9CCNT1KIT

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-20240109917-A1 PYRAZOLOTHIAZOLE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2024-04-04 — — 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-20240109917-A1 PYRAZOLOTHIAZOLE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS PDGFRA, PDGFRB, ABL1 POLQ 2881/4885NTRK1 127/4885CDK9 269/4885

“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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