SCHEMBL1702320

SCHEMBL1702320

Nc1cc(-c2ccccn2)[nH]n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
HSD17B10 Q99714 2/20 0.47
ALOX15 P16050 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
ALPL P05186 1/20 0.47
PKM P14618 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KDM4E B2RXH2 3/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
CCR1 P32246 1/20 0.46
CCR5 P51681 1/20 0.46
CCR8 P51685 1/20 0.46
METAP1 P53582 1/20 0.46
BLM P54132 1/20 0.46
HIF1A Q16665 1/20 0.46
DOHH Q9BU89 1/20 0.46

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
SCHEMBL29376325 0.81 PIN1 (0.57) SMN1; SMN2NPC1RAB9AHSD17B10ALOX15
SCHEMBL1528433 0.81 PIN1 (0.57) SMN1; SMN2NPC1RAB9AHSD17B10ALOX15
SCHEMBL29600612 0.79 PDPK1 (0.46) SMN1; SMN2NPC1RAB9AHSD17B10KDM4E
SCHEMBL2623420 0.78 KDM4E (0.46) SMN1; SMN2NPC1RAB9AHSD17B10ALOX15
SCHEMBL13950333 0.78 KDM4E (0.46) SMN1; SMN2NPC1RAB9AHSD17B10ALOX15
SCHEMBL1528334 0.76 POLB (0.67) SMN1; SMN2NPC1RAB9AHSD17B10ALOX15
SCHEMBL17279982 0.75 POLB (0.55) SMN1; SMN2NPC1RAB9AHSD17B10ALOX15
SCHEMBL27648472 0.75 PIN1 (0.48) SMN1; SMN2NPC1RAB9AHSD17B10ALOX15
SCHEMBL13815661 0.74 HSP90AA1 (0.43) SMN1; SMN2NPC1RAB9AHSD17B10TDP1
SCHEMBL18405367 0.74 KDM4E (0.42) SMN1; SMN2NPC1RAB9AHSD17B10ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10738033-B2 Trk inhibition NANTBIO, INC. (US) 2020-08-11 US disclosed
US-20180346451-A1 TRK INHIBITION NANTBIO, INC. 2018-12-06 US disclosed
US-9078902-B2 Triazine derivatives and their therapeutical applications NANTBIOSCIENCE, INC. (US) 2015-07-14 US disclosed
US-20120196860-A1 Triazine derivatives and their therapeutical applications CALIFORNIA CAPITAL EQUITY, LLC (US) 2012-08-02 US disclosed
EP-2440057-A1 TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS Abraxis BioScience, LLC (US) 2012-04-18 EP disclosed
WO-2010144550-A1 TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS ABRAXIS BIOSCIENCE, LLC (US) 2010-12-16 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 (3 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-20180346451-A1 TRK INHIBITION NGFR, NGF, NTRK1 SMN1; SMN2 1519/4885NPC1 2610/4885RAB9A 3225/4885
US-10738033-B2 Trk inhibition NGF, NGFR, NTRK2 SMN1; SMN2 1979/4885NPC1 2388/4885RAB9A 2881/4885
US-20120196860-A1 Triazine derivatives and their therapeutical applications MAP3K2, MAP3K5, MAP4K2 SMN1; SMN2 3260/4885NPC1 3009/4885RAB9A 3671/4885

“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.