SCHEMBL22672630

SCHEMBL22672630

Cc1ncc2c(-c3nnn[nH]3)cccc2n1

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 1/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ PDE4C Q08493 1/20 0.32
▸ PDE4D Q08499 1/20 0.32
▸ PDE3B Q13370 1/20 0.32
▸ PDE7A Q13946 1/20 0.32
▸ PDE3A Q14432 1/20 0.32
▸ PDE7B Q9NP56 1/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ HTR1D P28221 1/20 0.32
▸ HTR1B P28222 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ TGFBR1 P36897 1/20 0.32
▸ MAPK14 Q16539 1/20 0.32
▸ PDK1 Q15118 1/20 0.32
▸ PDK2 Q15119 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
SCHEMBL22672631 0.82 PDE7A (0.33) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL21959294 0.73 TNF (0.46) TGFBR1
SCHEMBL21959296 0.72 MEN1 (0.42) TGFBR1MAPK14
SCHEMBL1250423 0.72 KDM4E (0.42) MAPK14
SCHEMBL21959267 0.71 TNF (0.44) PDE7APDE7BTGFBR1
SCHEMBL8404379 0.69 CYP1A2 (0.42) PDE3BPDE3APDK1PDK2
SCHEMBL5511293 0.69 KDM4E (0.41) —
SCHEMBL22672663 0.69 — —
SCHEMBL5813250 0.68 P2RX7 (0.39) —
SCHEMBL29483300 0.68 P2RX7 (0.39) —

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-20200361920-A1 ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2020-11-19 — — 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-20200361920-A1 ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF SLC10A1, NR1H4, SLC10A2 PDE4A 449/4885PDE4B 485/4885PDE4C 885/4885

“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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