SCHEMBL2116327

SCHEMBL2116327

Clc1cc(-c2cccc3ccccc23)c2nc(Cl)ccc2c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 4/20 0.42
PIM2 Q9P1W9 3/20 0.42
GPR84 Q9NQS5 1/20 0.38
TYMP P19971 1/20 0.37
CYP1A2 P05177 2/20 0.37
ALDH1A1 P00352 2/20 0.37
RAB9A P51151 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP2C19 P33261 1/20 0.37
ATM Q13315 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
MAPT P10636 1/20 0.36
CYP2A6 P11509 3/20 0.36
CCR1 P32246 1/20 0.36
CCR8 P51685 1/20 0.36
NPC1 O15118 1/20 0.35
DHFR P00374 1/20 0.35
SLC40A1 Q9NP59 1/20 0.35

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
SCHEMBL2116332 0.85 PIM1 (0.44) PIM1PIM2TYMPCYP1A2ALDH1A1
SCHEMBL2115464 0.81 SOS2 (0.43) PIM1GPR84CYP1A2ALDH1A1RAB9A
SCHEMBL2118134 0.80 FDPS (0.52) GPR84ALDH1A1KDM4E
SCHEMBL2116650 0.79 TDP1 (0.44) PIM1PIM2ALDH1A1RAB9AKDM4E
SCHEMBL2118626 0.76 CYP1A2 (0.43) GPR84CYP1A2ALDH1A1RAB9ACYP2C19
SCHEMBL13689609 0.72 PLAU (0.41) PIM1ALDH1A1HSD17B10MAPTDHFR
SCHEMBL23406899 0.72 ALDH1A1 (0.38) PIM1PIM2CYP1A2ALDH1A1KDM4E
SCHEMBL31184174 0.72 ALDH1A1 (0.38) PIM1PIM2CYP1A2ALDH1A1KDM4E
SCHEMBL3336887 0.72 NPC1 (0.50) CYP1A2ALDH1A1RAB9AATMHSD17B10
SCHEMBL21942169 0.70 CYP1A2 (0.44) TYMPCYP1A2ALDH1A1RAB9AKDM4E

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-20120094958-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2012-04-19 US disclosed
EP-2250152-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE Novartis AG (CH) 2010-11-17 EP disclosed
WO-2009106586-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2009-09-03 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-20120094958-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE FDPS, GGPS1, CTPS1 PIM1 2265/4885PIM2 2437/4885GPR84 3843/4885

“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.