SCHEMBL17980321

SCHEMBL17980321

CCOC(=O)c1cn(-c2cncnc2)nc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.49
RAB9A P51151 6/20 0.49
NPSR1 Q6W5P4 3/20 0.49
MAPK1 P28482 1/20 0.49
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
GLA P06280 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
CA12 O43570 5/20 0.42
CA9 Q16790 5/20 0.42
DCTPP1 Q9H773 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
LMNA P02545 1/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL22423416 0.91 ALDH1A1 (0.42) NPC1RAB9ANPSR1MAPK1ALDH1A1
SCHEMBL16276412 0.86 RAB9A (0.47) NPC1RAB9ANPSR1MAPK1ALDH1A1
SCHEMBL1680448 0.84 NPC1 (0.66) NPC1RAB9ANPSR1MAPK1ALDH1A1
SCHEMBL19018352 0.84 NPC1 (0.46) NPC1RAB9ANPSR1MAPK1ALDH1A1
SCHEMBL24487886 0.81 NFKB1 (0.51) NPC1RAB9ANPSR1MAPK1ALDH1A1
SCHEMBL6172144 0.81 NPSR1 (0.67) NPC1RAB9ANPSR1MAPK1ALDH1A1
SCHEMBL22423390 0.80 MAPT (0.36) NPC1RAB9AMAPK1ALDH1A1SMN1; SMN2
SCHEMBL17980116 0.80 ALKBH1 (0.45) NPC1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL6052295 0.79 NPC1 (0.66) NPC1RAB9ANPSR1MAPK1ALDH1A1
SCHEMBL26005165 0.79 CA12 (0.61) NPC1RAB9ANPSR1MAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10905123-B2 Herbicidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2021-02-02 US disclosed
US-10905123-B2 Herbicidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2021-02-02 US disclosed
CN-107250127-B Herbicidal compounds 先正达参股股份有限公司 2020-11-24 CN disclosed
EP-3255989-B1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2020-09-16 EP disclosed
US-20180027815-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2018-02-01 US disclosed
US-20180027815-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2018-02-01 US disclosed
US-20180027815-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2018-02-01 US disclosed
EP-3255989-A1 HERBICIDAL COMPOUNDS Syngenta Participations AG (CH) 2017-12-20 EP disclosed
WO-2016128266-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-08-18 WO disclosed
WO-2016128266-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-08-18 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 (2 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-20180027815-A1 HERBICIDAL COMPOUNDS DDT, HPD, PDXK NPC1 4820/4885RAB9A 3131/4885NPSR1 4136/4885
US-10905123-B2 Herbicidal compounds DDT, HPD, PDXK NPC1 4820/4885RAB9A 3131/4885NPSR1 4136/4885

“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.