SCHEMBL23353587

SCHEMBL23353587

CCCC(CCC)c1ccnc2[nH]ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCI P41743 3/20 0.46
▸ AXL P30530 1/20 0.46
▸ NUDT1 P36639 4/20 0.44
▸ CCNK O75909 2/20 0.43
▸ CDK12 Q9NYV4 2/20 0.43
▸ AURKB Q96GD4 3/20 0.41
▸ JAK2 O60674 2/20 0.41
▸ JAK3 P52333 2/20 0.41
▸ ROCK1 Q13464 2/20 0.41
▸ IKBKB O14920 1/20 0.41
▸ CHUK O15111 1/20 0.41
▸ DAPK3 O43293 1/20 0.41
▸ PRKD3 O94806 1/20 0.41
▸ MAP4K4 O95819 1/20 0.41
▸ PAK4 O96013 1/20 0.41
▸ CSF1R P07333 1/20 0.41
▸ RET P07949 1/20 0.41
▸ IGF1R P08069 1/20 0.41
▸ FGFR1 P11362 1/20 0.41
▸ PRKACA P17612 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
SCHEMBL23004035 0.79 PRKCI (0.47) PRKCIAXLNUDT1CCNKCDK12
SCHEMBL4235555 0.78 PRKCI (0.41) PRKCIAXLNUDT1CCNKCDK12
SCHEMBL84365 0.78 PRKCI (0.53) PRKCIAXLNUDT1CCNKCDK12
SCHEMBL8687438 0.75 CIT (0.59) PRKCIAXLNUDT1AURKBJAK2
SCHEMBL31541393 0.75 PRKCI (0.50) PRKCIAXLNUDT1AURKBJAK2
SCHEMBL31541439 0.75 PRKCI (0.50) PRKCIAXLNUDT1AURKBJAK2
SCHEMBL24492983 0.75 PRKCI (0.50) PRKCIAXLNUDT1CCNKCDK12
SCHEMBL23021726 0.75 PRKCI (0.50) PRKCIAXLNUDT1AURKBJAK2
SCHEMBL31541422 0.75 PRKCI (0.55) PRKCIAXLNUDT1AURKBJAK2
SCHEMBL8688105 0.75 PRKCI (0.55) PRKCIAXLNUDT1CCNKCDK12

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-20210139484-A1 DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS GOSSAMER BIO SERVICES INC (US) 2021-05-13 — — 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-20210139484-A1 DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS ULK1, PHKG2, PHKG1 PRKCI 407/4885AXL 4579/4885NUDT1 1667/4885

“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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