SCHEMBL4179749

SCHEMBL4179749

O=C(C=Cc1cccnc1)c1cccc(Br)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 14/20 0.64
CYP1A1 P04798 13/20 0.64
CYP1B1 Q16678 13/20 0.64
CYP3A4 P08684 7/20 0.64
CYP2D6 P10635 7/20 0.64
USP2 O75604 1/20 0.58
PFKFB3 Q16875 1/20 0.57
MAPT P10636 3/20 0.56
RAB9A P51151 2/20 0.56
KDM4E B2RXH2 2/20 0.56
NPC1 O15118 1/20 0.56
JUN P05412 1/20 0.56
NFKB1 P19838 1/20 0.56
MAPK1 P28482 1/20 0.56
GPR55 Q9Y2T6 1/20 0.56
KMT2A Q03164 2/20 0.55
LMNA P02545 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
NTSR1 P30989 1/20 0.50

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
SCHEMBL7771798 0.84 MAPT (0.59) CYP1A2CYP1A1CYP1B1CYP3A4CYP2D6
SCHEMBL23598512 0.84 MAPT (0.59) CYP1A2CYP1A1CYP1B1CYP3A4CYP2D6
SCHEMBL4183052 0.83 USP2 (0.58) CYP1A2CYP1A1CYP1B1CYP3A4CYP2D6
SCHEMBL4189499 0.83 CYP1A1 (0.62) CYP1A2CYP1A1CYP1B1CYP3A4CYP2D6
SCHEMBL4174253 0.78 RAB9A (0.74) CYP1A2CYP1A1CYP1B1CYP3A4CYP2D6
SCHEMBL3659102 0.78 RAB9A (0.74) CYP1A2CYP1A1CYP1B1CYP3A4CYP2D6
SCHEMBL17233312 0.78 CYP1A2 (1.00) CYP1A2CYP1A1CYP1B1CYP3A4CYP2D6
SCHEMBL23598790 0.77 MAPT (0.48) CYP1A2CYP1A1CYP1B1MAPTRAB9A
SCHEMBL10275177 0.77 CYP1A1 (0.62) CYP1A2CYP1A1CYP1B1CYP3A4CYP2D6
SCHEMBL10275586 0.76 USP2 (0.60) CYP1A2CYP1A1CYP1B1CYP3A4CYP2D6

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
EP-2242742-B1 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2015-12-02 EP disclosed
US-8343966-B2 Organic compounds NOVARTIS AG (CH) 2013-01-01 US disclosed
US-20090215776-A1 Organic compounds ADCOCK CLAIRE 2009-08-27 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-20090215776-A1 Organic compounds REN, RXFP1, MYLK CYP1A2 616/4885CYP1A1 339/4885CYP1B1 277/4885

“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.