SCHEMBL15768639

SCHEMBL15768639

Cc1c(N)nn(-c2cccnc2)c1C

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.44
CYP2E1 P05181 2/20 0.44
CYP3A4 P08684 2/20 0.44
PIK3CD O00329 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GRM1 Q13255 6/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
PI4KA P42356 1/20 0.40
PI4K2B Q8TCG2 1/20 0.40
PI4K2A Q9BTU6 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
ALOX12 P18054 1/20 0.38

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
SCHEMBL18949738 0.83 TSHR (0.49) CYP2A6CYP2E1CYP3A4SMN1; SMN2GRM1
SCHEMBL12335152 0.77 SMN1; SMN2 (0.57) CYP2A6CYP2E1CYP3A4PIK3CDSMN1; SMN2
SCHEMBL18131331 0.75 PIK3CD (0.51) PIK3CDPI4KAPI4K2BPI4K2API4KB
SCHEMBL2689168 0.75 CYP2A6 (0.45) CYP2A6CYP2E1CYP3A4SMN1; SMN2GRM1
SCHEMBL25823001 0.73 CYP2A6 (0.44) CYP2A6CYP2E1CYP3A4SMN1; SMN2GRM1
Hydrochloric Acid SCHEMBL6342651 0.72 CYP1A2 (0.65) CYP2A6CYP2E1CYP3A4SMN1; SMN2GRM1
SCHEMBL16019532 0.71 GRM1 (0.42) CYP2A6CYP2E1CYP3A4PIK3CDSMN1; SMN2
SCHEMBL9026635 0.70 CYP2A6 (0.44) CYP2A6CYP2E1CYP3A4SMN1; SMN2GRM1
SCHEMBL9025915 0.70 CYP2A6 (0.44) CYP2A6CYP2E1CYP3A4GRM1ALOX12
SCHEMBL13740923 0.70 CYP2A6 (0.44) CYP2A6CYP2E1CYP3A4SMN1; SMN2GRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170267657-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-09-21 US disclosed
US-9708288-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2017-07-18 US disclosed
US-9591857-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2017-03-14 US disclosed
US-20160318924-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2016-11-03 US disclosed
US-20160159766-A9 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2016-06-09 US disclosed
US-20160060245-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2016-03-03 US disclosed
US-20150335022-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2015-11-26 US disclosed
US-20140162874-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-06-12 US 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 (6 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-20160318924-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS CYP2A6 368/4885CYP2E1 56/4885CYP3A4 129/4885
US-20160159766-A9 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS CYP2A6 368/4885CYP2E1 56/4885CYP3A4 129/4885
US-20150335022-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS CYP2A6 368/4885CYP2E1 56/4885CYP3A4 129/4885
US-20170267657-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS CYP2A6 368/4885CYP2E1 56/4885CYP3A4 129/4885
US-20140162874-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS CYP2A6 368/4885CYP2E1 56/4885CYP3A4 129/4885
US-20160060245-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS CYP2A6 368/4885CYP2E1 56/4885CYP3A4 129/4885

“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.