SCHEMBL14710313

SCHEMBL14710313

CCOC(=O)c1c(-c2ccc(Br)cc2)nc2ccccn12

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.82
CYP2C9 P11712 3/20 0.82
CYP2C19 P33261 3/20 0.82
SMN1; SMN2 Q16637 1/20 0.82
MAPK1 P28482 2/20 0.65
ALDH1A1 P00352 5/20 0.65
NPC1 O15118 3/20 0.63
RAB9A P51151 3/20 0.63
MAPT P10636 2/20 0.59
KDM4E B2RXH2 2/20 0.59
MEN1 O00255 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
KMT2A Q03164 1/20 0.58
NTRK1 P04629 1/20 0.56
MARK4 Q96L34 3/20 0.52
TSHR P16473 2/20 0.52
GAA P10253 1/20 0.52
HPGD P15428 1/20 0.52
HSD17B10 Q99714 1/20 0.52

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
SCHEMBL9500170 0.90 CYP1A2 (0.86) CYP1A2CYP2C9CYP2C19SMN1; SMN2MAPK1
SCHEMBL10675936 0.90 CYP1A2 (1.00) CYP1A2CYP2C9CYP2C19SMN1; SMN2MAPK1
SCHEMBL10675727 0.89 CYP1A2 (0.84) CYP1A2CYP2C9CYP2C19SMN1; SMN2MAPK1
SCHEMBL9498732 0.88 CYP1A2 (0.78) CYP1A2CYP2C9CYP2C19SMN1; SMN2MAPK1
SCHEMBL20579814 0.87 SMN1; SMN2 (0.80) CYP1A2CYP2C9CYP2C19SMN1; SMN2MAPK1
SCHEMBL21096489 0.87 CYP1A2 (0.80) CYP1A2CYP2C9CYP2C19SMN1; SMN2MAPK1
SCHEMBL20579850 0.84 CYP1A2 (0.75) CYP1A2CYP2C9CYP2C19SMN1; SMN2MAPK1
SCHEMBL30218495 0.82 MAPK1 (0.75) CYP1A2CYP2C9CYP2C19SMN1; SMN2MAPK1
SCHEMBL9981450 0.81 MAPK1 (0.62) CYP1A2CYP2C9CYP2C19SMN1; SMN2MAPK1
SCHEMBL14710304 0.81 MAPT (0.61) CYP1A2CYP2C9CYP2C19SMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8975235-B2 Lysophosphatidic acid receptor antagonists INTERMUNE, INC. (US) 2015-03-10 US disclosed
US-8975235-B2 Lysophosphatidic acid receptor antagonists INTERMUNE, INC. (US) 2015-03-10 US disclosed
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-03-21 US disclosed
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-03-21 US disclosed
WO-2013025733-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-02-21 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-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 CYP1A2 4548/4885CYP2C9 4744/4885CYP2C19 4544/4885

“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.