SCHEMBL3922800

SCHEMBL3922800

O=c1c(-c2ccc(OCc3ccccc3)c(F)c2)cncn1Cc1c(F)cc(Cl)cc1F

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.40
S1PR5 Q9H228 1/20 0.40
PTGER1 P34995 4/20 0.39
CYP2C9 P11712 3/20 0.39
CYP3A4 P08684 2/20 0.39
GRK2 P25098 3/20 0.39
MAPK14 Q16539 2/20 0.39
CHRM1 P11229 1/20 0.39
CTSA P10619 1/20 0.38
ERN1 O75460 1/20 0.38
USP2 O75604 1/20 0.37
CYP1A2 P05177 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
ACP1 P24666 1/20 0.37
GRK1 Q15835 1/20 0.37

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
SCHEMBL3915575 0.91 GRK2 (0.45) S1PR5GRK2MAPK14CTSAERN1
SCHEMBL3105830 0.90 CYP11B1 (0.44) MRGPRX4S1PR5PTGER1CYP2C9CYP3A4
SCHEMBL3917400 0.89 MRGPRX4 (0.43) MRGPRX4S1PR5PTGER1CYP2C9CYP3A4
SCHEMBL3916324 0.89 SMN1; SMN2 (0.44) MRGPRX4S1PR5PTGER1CYP2C9CYP3A4
SCHEMBL3917605 0.87 CYP11B1 (0.47) S1PR5CYP2C9CYP3A4GRK2MAPK14
SCHEMBL3923436 0.87 S1PR5 (0.42) S1PR5PTGER1CYP2C9CYP3A4GRK2
SCHEMBL3923475 0.86 S1PR5 (0.47) S1PR5PTGER1GRK2MAPK14MAPK1
SCHEMBL3912908 0.86 MAPK14 (0.43) MRGPRX4S1PR5GRK2MAPK14ERN1
SCHEMBL3915748 0.86 GRK2 (0.41) S1PR5GRK2MAPK14CTSAERN1
SCHEMBL3915705 0.84 MEN1 (0.43) S1PR5PTGER1GRK2MAPK14

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-20110053931-A1 QUINOLINE COMPOUNDS AND METHODS OF USE GAUDINO JOHN 2011-03-03 US disclosed
EP-2032538-A2 QUINOLINE COMPOUNDS AND METHODS OF USE Array Biopharma, Inc. (US) 2009-03-11 EP disclosed
WO-2007146824-A2 QUINOLINE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2007-12-21 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-20110053931-A1 QUINOLINE COMPOUNDS AND METHODS OF USE TK1, ABL1, ROR1 MRGPRX4 509/4885S1PR5 2995/4885PTGER1 510/4885

“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.