SCHEMBL26345894

SCHEMBL26345894

Cc1cccc(/C(N)=C/C=N)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.53
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ACHE P22303 2/20 0.39
▸ HTR3E A5X5Y0 1/20 0.39
▸ HTR3B O95264 1/20 0.39
▸ HTR3A P46098 1/20 0.39
▸ HTR3D Q70Z44 1/20 0.39
▸ HTR3C Q8WXA8 1/20 0.39
▸ KCNK3 O14649 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ KCNK9 Q9NPC2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ FAAH O00519 1/20 0.38
▸ TAAR1 Q96RJ0 1/20 0.38
▸ POLB P06746 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
SCHEMBL19983564 0.83 PARP1 (0.55) PARP1HDAC8HDAC6SMN1; SMN2ACHE
SCHEMBL20632312 0.80 PARP1 (0.52) PARP1HDAC8HDAC6SMN1; SMN2ACHE
SCHEMBL18902608 0.80 PARP1 (0.52) PARP1HDAC8HDAC6SMN1; SMN2ACHE
SCHEMBL18088798 0.79 PARP1 (0.52) PARP1TDP1CTSL
SCHEMBL15471903 0.78 PARP1 (0.46) PARP1HDAC8HDAC6SMN1; SMN2ACHE
SCHEMBL18175060 0.77 PARP1 (0.62) PARP1HDAC8HDAC6SMN1; SMN2ACHE
SCHEMBL17449533 0.76 PRSS1 (0.59) HDAC8
SCHEMBL24288500 0.76 ALDH1A1 (0.40) HDAC6SMN1; SMN2ACHEHTR3EHTR3B
SCHEMBL4535484 0.76 F2 (0.48) PARP1MEN1KMT2ATDP1POLB
SCHEMBL16615090 0.75 PRSS1 (0.58) HDAC8MEN1KMT2AHPGD

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-20230303501-A1 C-ABL TYROSINE KINASE INHIBITORY COMPOUND EMBODIMENTS AND METHODS OF MAKING AND USING THE SAME THE USA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2023-09-28 — — 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-20230303501-A1 C-ABL TYROSINE KINASE INHIBITORY COMPOUND EMBODIMENTS AND METHODS OF MAKING AND USING THE SAME ABL1, ABL2, MUSK PARP1 3270/4885HDAC8 3509/4885HDAC6 2658/4885

“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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