SCHEMBL3988518

SCHEMBL3988518

Oc1ccc(-c2ccc(Nc3ccccc3)cn2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 1/20 0.47
▸ CYP11B2 P19099 1/20 0.47
▸ ESR1 P03372 3/20 0.43
▸ ESR2 Q92731 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ PTPN1 P18031 2/20 0.42
▸ PTPN2 P17706 1/20 0.42
▸ DHODH Q02127 2/20 0.40
▸ RIPK1 Q13546 1/20 0.39
▸ PAX8 Q06710 1/20 0.39
▸ HSD17B1 P14061 2/20 0.39
▸ HSD17B2 P37059 2/20 0.39
▸ CDK1 P06493 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ XDH P47989 1/20 0.38
▸ SLC22A12 Q96S37 1/20 0.38
▸ MGLL Q99685 1/20 0.38
▸ PTPN6 P29350 1/20 0.38
▸ PTPN11 Q06124 1/20 0.38
▸ LMNA P02545 1/20 0.38

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
SCHEMBL3918169 0.87 CYP11B1 (0.43) CYP11B1CYP11B2ESR1ESR2KDM4E
SCHEMBL12988126 0.79 CYP11B1 (0.52) CYP11B1CYP11B2ESR1ESR2KDM4E
SCHEMBL2862184 0.77 GFRA3 (0.51) ESR1ESR2KDM4ERIPK1HSD17B1
SCHEMBL3920789 0.77 LRRK2 (0.42) CYP11B1CYP11B2CDK2LMNAALOX5AP
SCHEMBL22589209 0.77 ALDH1A1 (0.52) CYP11B1CYP11B2PTPN1PTPN2HSD17B10
SCHEMBL17465465 0.74 PTPN2 (0.45) CYP11B1CYP11B2KDM4EPTPN1PTPN2
SCHEMBL12987472 0.73 CYP11B1 (0.50) CYP11B1CYP11B2ESR1ESR2KDM4E
SCHEMBL14355085 0.71 SMN1; SMN2 (0.51) CYP11B1CYP11B2KDM4EPTPN1PTPN2
SCHEMBL15420669 0.70 CYP11B1 (0.47) CYP11B1CYP11B2ESR1ESR2KDM4E
SCHEMBL30423129 0.68 ALDH1A1 (0.54) KDM4ECDK1CDK2LMNAHSD17B10

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 CYP11B1 81/4885CYP11B2 85/4885ESR1 1513/4885

“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.

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