SCHEMBL3254162

SCHEMBL3254162

COc1ccc(Br)cc1C(=O)c1ncc(Cl)nc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
ALDH1A1 P00352 4/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GFER P55789 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MALT1 Q9UDY8 1/20 0.41
POLB P06746 4/20 0.40
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.39
RECQL P46063 1/20 0.39
STAT3 P40763 1/20 0.39
APAF1 O14727 1/20 0.39
TDP2 O95551 1/20 0.39
NSD2 O96028 1/20 0.39
CASP3 P42574 1/20 0.39
PPP1CA P62136 1/20 0.39
SENP8 Q96LD8 1/20 0.39

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
SCHEMBL3248668 0.79 ALDH1A1 (0.42) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL19641114 0.74 APAF1 (0.45) ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL19641325 0.72 CCR4 (0.41) APAF1TDP2NSD2CASP3PPP1CA
SCHEMBL27778060 0.71 SIRT6 (0.38) ALDH1A1SMN1; SMN2MEN1KMT2ATDP1
SCHEMBL5754708 0.70 MAPT (0.65) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL3257150 0.70 ACHE (0.38) MAPTALDH1A1GFERHSD17B10MALT1
SCHEMBL477809 0.70 MAPT (0.55) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL30362156 0.70 MAPT (0.55) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL1221627 0.70 POLB (0.63) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL30362007 0.70 POLB (0.63) MAPTALDH1A1CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1833477-B1 PYRAZOLO-HETEROARYL COMPOUNDS USEFUL TO TREAT TNF-ALPHA AND IL-1 MEDIATED DISEASES NOVARTIS AG (CH) 2010-06-02 EP disclosed
US-20090258874-A1 PYRAZOLO-HETEROARYL COMPOUNDS NOVARTIS AG (CH) 2009-10-15 US disclosed
US-20090258874-A1 PYRAZOLO-HETEROARYL COMPOUNDS NOVARTIS AG (CH) 2009-10-15 US disclosed
US-20090258874-A1 PYRAZOLO-HETEROARYL COMPOUNDS NOVARTIS AG (CH) 2009-10-15 US disclosed
EP-1833477-A1 PYRAZOLO-HETEROARYL COMPOUNDS USEFUL TO TREAT TNF-ALPHA AND IL-1 MEDIATED DISEASES Novartis AG (CH) 2007-09-19 EP disclosed
WO-2006063820-A1 PYRAZOLO-HETEROARYL COMPOUNDS USEFUL TO TREAT TNF-ALPHA AND IL-1 MEDIATED DISEASES NOVARTIS AG (CH) 2006-06-22 WO 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-20090258874-A1 PYRAZOLO-HETEROARYL COMPOUNDS IL1R1, IL1A, IL1B MAPT 3511/4885ALDH1A1 497/4885CYP1A2 195/4885

“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.