SCHEMBL12125261

SCHEMBL12125261

CCc1ccc2cc3c(N)n[nH]c3cc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ PTK2B Q14289 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2A6 P11509 1/20 0.44
▸ JAK2 O60674 8/20 0.43
▸ PDPK1 O15530 9/20 0.41
▸ AURKB Q96GD4 3/20 0.41
▸ AURKA O14965 2/20 0.41
▸ TGFBR1 P36897 2/20 0.41
▸ ROCK1 Q13464 2/20 0.40
▸ PLK4 O00444 1/20 0.40
▸ DAPK3 O43293 1/20 0.40

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
SCHEMBL14368882 0.83 JAK2 (0.51) MEN1NPC1ALDH1A1LMNAGAA
SCHEMBL91579 0.82 PDPK1 (0.55) MEN1NPC1ALDH1A1LMNAGAA
SCHEMBL1696402 0.82 JAK2 (0.55) MEN1NPC1ALDH1A1LMNAGAA
SCHEMBL15601766 0.79 PDPK1 (0.47) ALDH1A1LMNAGAACYP1A2CYP2A6
SCHEMBL6478485 0.76 JAK2 (0.66) JAK2PDPK1AURKBAURKATGFBR1
SCHEMBL14346059 0.75 MITF (0.43) ALDH1A1KMT2APTK2BJAK2PDPK1
SCHEMBL6479588 0.74 GSK3B (0.61) CYP1A2JAK2CDK1CDK2TYK2
SCHEMBL6486529 0.73 GSK3B (0.63) JAK2PDPK1TYK2JAK3FGFR1
SCHEMBL5421465 0.72 CYP1A2 (0.61) MEN1NPC1ALDH1A1LMNAGAA
SCHEMBL6890734 0.71 CYP2A6 (0.73) MEN1NPC1ALDH1A1LMNARAB9A

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-20110281850-A1 INTRACELLULAR KINASE INHIBITORS MANNKIND CORPORATION (US) 2011-11-17 — — 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-20110281850-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK MEN1 1596/4885NPC1 3708/4885ALDH1A1 4370/4885

“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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