SCHEMBL3913554

SCHEMBL3913554

O=c1c(-c2ccc(O)c(F)c2)cncn1Cc1ccccc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
ALDH1A1 P00352 3/20 0.40
MKNK1 Q9BUB5 2/20 0.40
MKNK2 Q9HBH9 2/20 0.40
KDM4E B2RXH2 1/20 0.39
ROCK2 O75116 2/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HSD17B13 Q7Z5P4 1/20 0.38
PDPK1 O15530 1/20 0.38
MIF P14174 2/20 0.38
THRB P10828 1/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 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
SCHEMBL3920487 0.90 USP2 (0.43) ALDH1A1MKNK1MKNK2KDM4EROCK2
SCHEMBL3920808 0.90 SMN1; SMN2 (0.43) LMNAALDH1A1KDM4EPOLBHPGD
SCHEMBL3913436 0.87 HSP90AA1 (0.44) MIFCYP11B1CYP11B2
SCHEMBL3913668 0.85 ACLY (0.38) ALDH1A1TP53TSHRSMN1; SMN2HSD17B13
SCHEMBL3911329 0.82 CYP11B1 (0.46) ALDH1A1POLBHPGDTSHRSMN1; SMN2
SCHEMBL3920670 0.82 MAPT (0.42) LMNAALDH1A1KDM4ETP53HPGD
SCHEMBL3112868 0.81 VEGFA (0.44) LMNAALDH1A1HPGDTHRBCYP11B1
SCHEMBL3915034 0.81 CYP11B1 (0.42) ALDH1A1KDM4ETP53POLBHPGD
SCHEMBL3921612 0.81 CHRM1 (0.38) MIFCYP11B1CYP11B2
SCHEMBL3924211 0.80 EGLN1 (0.51) LMNAALDH1A1MKNK1MKNK2KDM4E

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 LMNA 1139/4885ALDH1A1 1526/4885MKNK1 1195/4885

“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.