SCHEMBL4175691

SCHEMBL4175691

COc1cccc(-c2cncc(-c3cc(NC4CC4)nc(-c4ccccn4)c3)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
GPR39 O43194 2/20 0.44
ADORA3 P0DMS8 1/20 0.43
ADORA2B P29275 1/20 0.43
ADORA1 P30542 1/20 0.43
NPC1 O15118 1/20 0.43
PKM P14618 1/20 0.43
GRM5 P41594 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP2C19 P33261 3/20 0.43
USP2 O75604 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
ALOX15 P16050 2/20 0.43
TSHR P16473 2/20 0.43
MAPK1 P28482 2/20 0.43

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
SCHEMBL2238528 0.87 CYP1A2 (0.50) CYP1A2TDP1GPR39ADORA3ADORA2B
SCHEMBL3667927 0.87 GPR39 (0.41) GPR39MEN1KMT2ATGFBR1CCNT1
SCHEMBL3663465 0.84 ADORA3 (0.47) CYP1A2ADORA3ADORA2BADORA1NPC1
SCHEMBL3666866 0.84 ADORA3 (0.45) ADORA3ADORA2BADORA1NPC1PKM
SCHEMBL3665841 0.82 CLK4 (0.55) CYP1A2TDP1GPR39SMN1; SMN2CYP2C19
SCHEMBL3661867 0.80 NPC1 (0.49) CYP1A2ADORA1NPC1PKMGRM5
SCHEMBL3665002 0.80 GPR39 (0.47) GPR39ADORA2BADORA1PIM1CCNT1
SCHEMBL4192009 0.80 GPR39 (0.43) GPR39CLK4PIM1CCNT1
SCHEMBL3663705 0.78 GPR39 (0.43) GPR39ADORA2BADORA1PIM1ABL1
SCHEMBL3666036 0.78 HIF1A (0.47) CYP1A2TDP1GPR39ADORA3ADORA2B

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 616/4885TDP1 3297/4885GPR39 222/4885

“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.