SCHEMBL6187558

SCHEMBL6187558

CCn1nnc2ccc(C#N)cc21

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.53
CYP11B2 P19099 6/20 0.44
CYP11B1 P15538 4/20 0.44
HCAR3 P49019 1/20 0.43
ACSS2 Q9NR19 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
HIF1A Q16665 1/20 0.41
GLA P06280 1/20 0.40
TSHR P16473 1/20 0.40
CYP2A6 P11509 1/20 0.39
CYP19A1 P11511 2/20 0.38
GRM2 Q14416 1/20 0.37

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
SCHEMBL19915656 0.88 SLC9A1 (0.55) SLC9A1CYP11B2CYP11B1HCAR3ACSS2
SCHEMBL19848478 0.87 HCAR3 (0.54) SLC9A1CYP11B2HCAR3KMT2AKDM4E
SCHEMBL19848442 0.85 SLC9A1 (0.57) SLC9A1CYP11B2CYP11B1HCAR3ACSS2
SCHEMBL19848267 0.84 TSHR (0.43) SLC9A1CYP11B2CYP11B1ACSS2KMT2A
SCHEMBL19848264 0.83 CYP11B2 (0.41) SLC9A1CYP11B2CYP11B1HCAR3ACSS2
SCHEMBL29342227 0.83 MAPT (0.44) SLC9A1CYP11B2CYP11B1ACSS2KMT2A
SCHEMBL19848443 0.81 KDM4E (0.39) SLC9A1CYP11B2CYP11B1ACSS2KMT2A
SCHEMBL19915663 0.80 PRKDC (0.39) CYP11B2CYP11B1ACSS2KMT2AKDM4E
SCHEMBL19848485 0.79 GRM2 (0.60) SLC9A1HCAR3KMT2AKDM4EMAPT
SCHEMBL17103014 0.79 GLA (0.40) SLC9A1CYP11B2CYP11B1ACSS2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10756394-B2 Nonaqueous electrolyte and nonaqueous secondary battery ASAHI KASEI KABUSHIKI KAISHA (JP) 2020-08-25 US disclosed
US-20180062213-A1 Nonaqueous Electrolyte and Nonaqueous Secondary Battery ASAHI KASEI KABUSHIKI KAISHA (JP) 2018-03-01 US disclosed
EP-3279997-A1 NONAQUEOUS ELECTROLYTE AND NONAQUEOUS SECONDARY BATTERY Asahi Kasei Kabushiki Kaisha (JP) 2018-02-07 EP disclosed
EP-1247810-B1 Novel benzotriazoles anti-inflammatory compounds PFIZER PROD INC (US) 2005-09-07 EP disclosed
US-6664395-B2 Benzotriazole compoundsn are the potent inhibitors of MAP kinases, preferably p38 kinase. They are useful for treating inflammation, osteoarthritis, rheumatoid arthritis, cancer, reperfusion, ischemia PFIZER INC 2003-12-16 US disclosed
US-20030078432-A1 Novel benzotriazoles anti-inflammatory compounds PFIZER INC. 2003-04-24 US disclosed
EP-1247810-A1 Novel benzotriazoles anti-inflammatory compounds Pfizer Products Inc. (US) 2002-10-09 EP 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-20030078432-A1 Novel benzotriazoles anti-inflammatory compounds MAPK1, JAK1, RUNX1 SLC9A1 1389/4885CYP11B2 729/4885CYP11B1 587/4885
US-10756394-B2 Nonaqueous electrolyte and nonaqueous secondary battery BPTF, BRD4, KCNN2 SLC9A1 341/4885CYP11B2 607/4885CYP11B1 640/4885
US-20180062213-A1 Nonaqueous Electrolyte and Nonaqueous Secondary Battery BPTF, BRD4, KCNN2 SLC9A1 341/4885CYP11B2 607/4885CYP11B1 640/4885

“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.