SCHEMBL27184971

SCHEMBL27184971

Cc1ncc(C(=O)NCC2CCCN2C)cc1NC(=O)c1cnn2cc(-c3cnn4c3CCC4)sc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDGFRA P16234 2/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ POLQ O75417 1/20 0.37
▸ IKBKB O14920 1/20 0.37
▸ CAMK2D Q13557 1/20 0.35
▸ HSD17B13 Q7Z5P4 1/20 0.34
▸ MAPK8 P45983 1/20 0.34
▸ MAPK10 P53779 1/20 0.34
▸ CDK9 P50750 6/20 0.33
▸ CCNT1 O60563 3/20 0.33
▸ ABCB1 P08183 2/20 0.33
▸ JAK2 O60674 4/20 0.32
▸ JAK1 P23458 4/20 0.32
▸ KIT P10721 1/20 0.32
▸ CDK1 P06493 1/20 0.32
▸ CDK4 P11802 1/20 0.32
▸ CCNB1 P14635 1/20 0.32
▸ CCNE1 P24864 1/20 0.32
▸ CDK2 P24941 1/20 0.32

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
SCHEMBL29760118 1.00 PDGFRA (0.39) PDGFRACHRM1HRH3POLQIKBKB
SCHEMBL29759569 0.89 PDGFRA (0.40) PDGFRACHRM1HRH3POLQIKBKB
SCHEMBL27185008 0.89 PDGFRA (0.40) PDGFRACHRM1HRH3POLQIKBKB
SCHEMBL30809553 0.88 PDGFRA (0.43) PDGFRACHRM1HRH3POLQKIT
SCHEMBL24577503 0.87 PDGFRA (0.40) PDGFRACHRM1HRH3POLQHSD17B13
SCHEMBL30809482 0.87 PDGFRA (0.40) PDGFRACHRM1HRH3POLQHSD17B13
SCHEMBL29759584 0.87 PDGFRA (0.40) PDGFRACHRM1HRH3POLQHSD17B13
SCHEMBL30809490 0.87 PDGFRA (0.44) PDGFRACHRM1HRH3POLQKIT
SCHEMBL30809496 0.87 PDGFRA (0.42) PDGFRACHRM1HRH3POLQIKBKB
SCHEMBL30809510 0.87 PDGFRA (0.40) PDGFRACHRM1HRH3POLQCDK9

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 PDGFRA 1/4885CHRM1 4399/4885HRH3 1593/4885

“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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