SCHEMBL17271379

SCHEMBL17271379

CC1(C)CC(NC(=NC#N)Nc2ccc(F)nc2)C(C)(C)N1O

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KCNJ11 Q14654 9/20 0.34
▸ P2RX7 Q99572 1/20 0.30
▸ KCNQ3 O43525 1/20 0.30
▸ KCNQ2 O43526 1/20 0.30

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
SCHEMBL16994509 1.00 KCNJ11 (0.34) KCNJ11P2RX7KCNQ3KCNQ2
SCHEMBL16994496 0.88 P2RX7 (0.39) P2RX7
SCHEMBL17271388 0.88 KCNJ11 (0.34) KCNJ11KCNQ3KCNQ2
SCHEMBL16994505 0.88 KDM4E (0.37) KCNJ11P2RX7KCNQ3KCNQ2
SCHEMBL9901986 0.85 JAK2 (0.33) —
SCHEMBL16994491 0.85 JAK2 (0.33) —
SCHEMBL16994487 0.83 KCNJ11 (0.33) KCNJ11
SCHEMBL17271391 0.83 KCNJ11 (0.33) KCNJ11
SCHEMBL16994485 0.82 P2RX7 (0.43) KCNJ11P2RX7
SCHEMBL9901674 0.82 FPR2 (0.34) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9522903-B2 Multifunctional nitroxide derivatives and uses thereof RADIKAL THERAPEUTICS INC. (US) 2016-12-20 — — US disclosed
US-20150336932-A1 MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF TISBURY PHARMACEUTICALS, INC 2015-11-26 — — 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 (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-20150336932-A1 MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF NOX4, NOX1, NOX3 KCNJ11 99/4885P2RX7 412/4885KCNQ3 46/4885

“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.

Send feedback