SCHEMBL339069

SCHEMBL339069

O=c1ccn(-c2ccccc2F)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
MGLL Q99685 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
G6PD P11413 1/20 0.41
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
SCN9A Q15858 4/20 0.38
HCAR1 Q9BXC0 1/20 0.38
SCN2B O60939 1/20 0.38
SCN1B Q07699 1/20 0.38
SCN5A Q14524 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
RORC P51449 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL16461496 0.84 DRD2 (0.36) G6PDCYP3A4CYP2C9RORCLMNA
SCHEMBL16463973 0.82 ALDH1A1 (0.42) KDM4EMGLLSCN9ACYP3A4CYP2C9
SCHEMBL16463679 0.82 RORC (0.41) KDM4ESCN9ASCN2BSCN1BSCN5A
Bicarbonate SCHEMBL9046002 0.79 MAPK8 (0.47) KDM4EPTGS1PTGS2SCN9ASCN2B
SCHEMBL16462828 0.79 KDM4E (0.37) KDM4EMAPK1HPGDALDH1A1
SCHEMBL16462544 0.79 POLB (0.50) KDM4EMEN1KMT2AHCAR1CYP3A4
SCHEMBL16463166 0.79 HTR7 (0.41) PTGS1PTGS2ALDH1A1
Bicarbonate SCHEMBL9046548 0.79 PTGS1 (0.43) KDM4EMGLLMEN1KMT2APTGS1
SCHEMBL16464113 0.78 NR1I2 (0.43) HTTALDH1A1
SCHEMBL16460867 0.78 ATM (0.40) MEN1KMT2ARAB9A

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
EP-3112348-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES Tairx, Inc. (TW) 2017-01-04 EP disclosed
US-8524740-B2 Synthesis and anticancer activity of aryl and heteroaryl-quinolin derivatives TAIRX, INC. (TW) 2013-09-03 US disclosed
EP-2593435-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES Tairx, Inc. (TW) 2013-05-22 EP disclosed
US-20120015908-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES Efficient Pharma Management Corporate (TW) 2012-01-19 US disclosed
WO-2012009519-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES EFFICIENT PHARMA MANAGEMENT CORP. (TW) 2012-01-19 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-20120015908-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES SLC22A8, ABCC8, CYP2C8 KDM4E 4748/4885MGLL 2623/4885MEN1 2493/4885

“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.