SCHEMBL13264880

SCHEMBL13264880

O=C(O)C(=O)C1CNc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.46
▸ KCNH2 Q12809 1/20 0.43
▸ PRMT5 O14744 1/20 0.39
▸ WDR77 Q9BQA1 1/20 0.39
▸ F2 P00734 2/20 0.36
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ ACKR3 P25106 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ HSPA1A P0DMV8 1/20 0.35
▸ PTPN7 P35236 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ CCKBR P32239 2/20 0.34
▸ MTNR1A P48039 1/20 0.34
▸ MTNR1B P49286 1/20 0.34
▸ F12 P00748 1/20 0.33

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
SCHEMBL5800011 0.85 ALDH1A1 (0.57) ALDH1A1KCNH2PRMT5WDR77F2
SCHEMBL3749720 0.85 ALDH1A1 (0.57) ALDH1A1KCNH2PRMT5WDR77F2
SCHEMBL7944576 0.84 KCNH2 (0.45) ALDH1A1KCNH2PRMT5WDR77F2
SCHEMBL24651223 0.84 KCNH2 (0.42) ALDH1A1KCNH2PRMT5WDR77F2
Hydrochloric Acid SCHEMBL28797396 0.84 ALDH1A1 (0.56) ALDH1A1KCNH2PRMT5WDR77F2
Hydrochloric Acid SCHEMBL28270652 0.84 ALDH1A1 (0.56) ALDH1A1KCNH2PRMT5WDR77F2
SCHEMBL27862075 0.83 ALDH1A1 (0.46) ALDH1A1KCNH2PRMT5WDR77F2
SCHEMBL859610 0.80 KCNH2 (0.44) ALDH1A1KCNH2PRMT5WDR77F2
SCHEMBL29892593 0.80 KCNH2 (0.44) ALDH1A1KCNH2PRMT5WDR77F2
Hydrochloric Acid SCHEMBL29893284 0.79 KCNH2 (0.43) ALDH1A1KCNH2PRMT5WDR77F2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7759380-B2 Substituted pyrrolines as kinase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2010-07-20 — — US disclosed
US-7329657-B2 Indazolyl-substituted pyrroline compounds as kinase inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2008-02-12 — — US disclosed
US-20070213386-A1 Substituted pyrrolines as kinase inhibitors ZHANG HAN-CHENG 2007-09-13 — — 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-20070213386-A1 Substituted pyrrolines as kinase inhibitors PRKDC, MAP2K2, TTK ALDH1A1 3937/4885KCNH2 3970/4885PRMT5 646/4885

“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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