SCHEMBL13616264

SCHEMBL13616264

Cc1ccc(N2CCC(OC(=O)c3ccccc3)CC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.70
ALDH1A1 P00352 1/20 0.70
CYP2C9 P11712 2/20 0.69
CYP2C19 P33261 2/20 0.69
POLB P06746 1/20 0.69
SCN1A P35498 3/20 0.63
SCN2A Q99250 3/20 0.63
SCN3A Q9NY46 3/20 0.63
KMT2A Q03164 2/20 0.63
MEN1 O00255 1/20 0.63
CARM1 Q86X55 1/20 0.54
PRMT6 Q96LA8 1/20 0.54
CHRNA7 P36544 2/20 0.51
HTR3E A5X5Y0 1/20 0.51
HTR3B O95264 1/20 0.51
HTR3A P46098 1/20 0.51
HTR3D Q70Z44 1/20 0.51
HTR3C Q8WXA8 1/20 0.51
GAA P10253 2/20 0.48
APOBEC3A P31941 1/20 0.47

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
SCHEMBL11976987 0.86 MAPT (0.69) MAPTALDH1A1CYP2C9CYP2C19POLB
SCHEMBL21541871 0.86 MAPT (0.69) MAPTALDH1A1CYP2C9CYP2C19POLB
SCHEMBL11977004 0.85 MAPT (0.65) MAPTALDH1A1CYP2C9CYP2C19POLB
SCHEMBL12591313 0.84 SCN1A (0.67) MAPTALDH1A1SCN1ASCN2ASCN3A
SCHEMBL8621135 0.82 MAPT (1.00) MAPTALDH1A1CYP2C9CYP2C19POLB
SCHEMBL8551383 0.80 CARM1 (0.60) POLBSCN1ASCN2ASCN3AKMT2A
SCHEMBL10306603 0.80 KMT2A (0.66) MAPTALDH1A1CYP2C9CYP2C19POLB
SCHEMBL1839704 0.79 KMT2A (0.97) ALDH1A1SCN1ASCN2ASCN3AKMT2A
Hydrochloric Acid SCHEMBL8552406 0.79 MEN1 (0.61) POLBSCN1ASCN2ASCN3AKMT2A
SCHEMBL27949304 0.79 ALDH1A1 (0.63) MAPTALDH1A1CYP2C19SCN1ASCN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324225-B2 Pyrrolopyrimidine compounds and their uses NOVARTIS AG (CH) 2012-12-04 US disclosed
US-20090318441-A1 Pyrrolopyrimidine Compounds and Their Uses ASTEX THERAPEUTICS LTD. 2009-12-24 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-20090318441-A1 Pyrrolopyrimidine Compounds and Their Uses PRKDC, TK2, PNKP MAPT 2154/4885ALDH1A1 1780/4885CYP2C9 4093/4885

“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.