SCHEMBL753368

SCHEMBL753368

O=C(Nc1ccccc1)c1cc[c]cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
RAB9A P51151 2/20 0.54
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 2/20 0.54
NPC1 O15118 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.51
KDR P35968 2/20 0.49
CNR1 P21554 2/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
EGFR P00533 1/20 0.48
KMT2A Q03164 2/20 0.47
P4HTM Q9NXG6 1/20 0.47
HTT P42858 2/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL422451 0.77 CNR1 (0.38) POLBRAB9AKDM4EALDH1A1NPC1
SCHEMBL5898991 0.76 GRM4 (0.60) RAB9AKDM4ENPC1SMN1; SMN2KDR
SCHEMBL30834279 0.76 RAB9A (0.73) POLBRAB9AKDM4EALDH1A1NPC1
SCHEMBL27720298 0.75 HIF1A (0.59) RAB9ANPC1SMN1; SMN2EGFR
SCHEMBL129083 0.75
SCHEMBL1898971 0.75 KMT2A (0.56) RAB9AALDH1A1NPC1SMN1; SMN2KMT2A
SCHEMBL483178 0.74 PTPN1 (0.66) POLBRAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL231897 0.74 KDR (0.78) POLBRAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL29184186 0.73 KDR (0.76) POLBRAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL752887 0.72 CHRM2 (0.44) RAB9AKDM4EALDH1A1NPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2430013-B1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC (US) 2014-10-15 EP claimed
US-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors AMGEN INC. (US) 2012-07-26 US claimed
EP-2430013-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS Amgen, Inc (US) 2012-03-21 EP claimed
WO-2010132598-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC. (US) 2010-11-18 WO claimed
US-10100095-B2 Resistant mutant 90 kDa heat shock protein TAIHO PHARMACEUTICAL CO., LTD. (JP) 2018-10-16 US disclosed
US-20160311871-A1 RESISTANT MUTANT 90 kDA HEAT SHOCK PROTEIN TAIHO PHARMACEUTICAL CO., LTD. (JP) 2016-10-27 US disclosed
EP-3064582-A1 RESISTANT MUTANT 90 kDA HEAT SHOCK PROTEIN Taiho Pharmaceutical Co., Ltd. (JP) 2016-09-07 EP disclosed
EP-2662357-B1 BICYCLIC COMPOUNDS OR SALTS THEREOF FOR USE IN THE TREATMENT OF CANCER TAIHO PHARMACEUTICAL CO LTD (JP) 2016-08-03 EP disclosed
US-8912181-B2 Bicyclic compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2014-12-16 US disclosed
EP-2430013-B1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC (US) 2014-10-15 EP disclosed
EP-2662357-A1 NOVEL BICYCLIC COMPOUND OR SALT THEREOF Taiho Pharmaceutical Co., Ltd. (JP) 2013-11-13 EP disclosed
US-20130296320-A1 NOVEL BICYCLIC COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2013-11-07 US disclosed
US-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors AMGEN INC. (US) 2012-07-26 US disclosed
EP-2430013-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS Amgen, Inc (US) 2012-03-21 EP disclosed
WO-2010132598-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC. (US) 2010-11-18 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 (4 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-20160311871-A1 RESISTANT MUTANT 90 kDA HEAT SHOCK PROTEIN HSP90AB1, HSP90AA1, HSP90AB2P POLB 1575/4885RAB9A 3162/4885KDM4E 2950/4885
US-10100095-B2 Resistant mutant 90 kDa heat shock protein HSP90AB1, HSP90AA1, HSP90AB2P POLB 1575/4885RAB9A 3162/4885KDM4E 2950/4885
US-20130296320-A1 NOVEL BICYCLIC COMPOUND OR SALT THEREOF HSP90AB1, HSP90AA1, HSP90AB2P POLB 4240/4885RAB9A 979/4885KDM4E 3917/4885
US-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors PIK3CA, PIKFYVE, PIK3CD POLB 1182/4885RAB9A 677/4885KDM4E 1665/4885

“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.