SCHEMBL17064198

SCHEMBL17064198

O=C(Nc1ncn(-c2ncc(F)cc2F)n1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.40
▸ NPC1 O15118 4/20 0.40
▸ RAB9A P51151 4/20 0.40
▸ HPGD P15428 1/20 0.40
▸ AURKA O14965 1/20 0.39
▸ KCNK3 O14649 2/20 0.39
▸ KCNK9 Q9NPC2 1/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ LMNA P02545 3/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL17073927 0.79 MEN1 (0.44) NPC1RAB9AHPGDKCNK3KCNK9
SCHEMBL17064207 0.74 MEN1 (0.40) HDAC1NPC1RAB9AHPGDKDM4E
SCHEMBL30599572 0.74 NPC1 (0.50) HDAC1NPC1RAB9AHPGDAURKA
SCHEMBL17064201 0.72 KCNK3 (0.44) HDAC1NPC1RAB9AKCNK3KCNK9
SCHEMBL27233081 0.68 RAB9A (0.53) NPC1RAB9AKDM4EMAPTLMNA
SCHEMBL18643540 0.68 NLRP3 (0.40) NPC1RAB9AKDM4ELMNASMN1; SMN2
SCHEMBL17073942 0.68 KMT2A (0.49) NPC1RAB9AHPGDKDM4EMAPT
SCHEMBL15639262 0.67 MEN1 (0.48) NPC1RAB9ALMNASMN1; SMN2MEN1
SCHEMBL17803643 0.65 RAB9A (0.58) HDAC1NPC1RAB9AHPGDKCNK3
SCHEMBL20242367 0.65 KCNK3 (0.56) RAB9AKCNK3KCNK9MAPTSMN1; 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3113618-B1 HETEROCYCLIC COMPOUNDS AS PEST CONTROLLERS BAYER CROPSCIENCE AG (DE) 2018-07-04 — — EP disclosed
US-9920017-B2 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-03-20 — — US disclosed
US-9920017-B2 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-03-20 — — US disclosed
US-9920017-B2 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-03-20 — — US disclosed
US-20170073318-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-03-16 — — US disclosed
US-20170073318-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-03-16 — — US disclosed
US-20170073318-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-03-16 — — US disclosed
EP-3113618-A1 HETEROCYCLIC COMPOUNDS AS PEST CONTROL AGENTS Bayer CropScience Aktiengesellschaft (DE) 2017-01-11 — — EP disclosed
WO-2015132313-A1 HETEROCYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AG (DE) 2015-09-11 — — WO disclosed
WO-2015132313-A1 HETEROCYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AG (DE) 2015-09-11 — — 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-20170073318-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES DDT, ACHE, PTMS HDAC1 401/4885NPC1 3008/4885RAB9A 1144/4885

“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.

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