SCHEMBL6369800

SCHEMBL6369800

CC(C)(C)N=C(NC#N)Nc1cccnc1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 10/20 0.77
KCNJ11 Q14654 10/20 0.77
ABCC8 Q09428 6/20 0.77
KCNJ8 Q15842 6/20 0.77
MEN1 O00255 1/20 0.77
CYP1A2 P05177 1/20 0.77
CYP3A4 P08684 1/20 0.77
CYP2D6 P10635 1/20 0.77
KMT2A Q03164 1/20 0.77
TBXA2R P21731 7/20 0.57
TBXAS1 P24557 7/20 0.57
P2RX7 Q99572 1/20 0.53
NAMPT P43490 1/20 0.50
LMNA P02545 1/20 0.50

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
SCHEMBL12648389 0.87 ABCC9 (1.00) ABCC9KCNJ11ABCC8KCNJ8MEN1
SCHEMBL11157791 0.87 ABCC9 (0.70) ABCC9KCNJ11ABCC8KCNJ8MEN1
SCHEMBL2129489 0.87 ABCC9 (1.00) ABCC9KCNJ11ABCC8KCNJ8MEN1
SCHEMBL2129487 0.87 ABCC9 (1.00) ABCC9KCNJ11ABCC8KCNJ8MEN1
SCHEMBL11162954 0.86 ABCC9 (0.80) ABCC9KCNJ11ABCC8KCNJ8MEN1
SCHEMBL8774811 0.86 ABCC9 (0.69) ABCC9KCNJ11ABCC8KCNJ8MEN1
SCHEMBL11166863 0.84 ABCC9 (0.77) ABCC9KCNJ11ABCC8KCNJ8MEN1
SCHEMBL9456841 0.82 ABCC9 (0.73) ABCC9KCNJ11ABCC8KCNJ8MEN1
SCHEMBL7347334 0.76 P2RX7 (0.58) ABCC9KCNJ11ABCC8KCNJ8MEN1
SCHEMBL9551254 0.75 ABCC9 (0.55) ABCC9KCNJ11ABCC8KCNJ8MEN1

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-20230302000-A1 COMBINATION DRUG TREATMENT TO INCREASE NEUROGENESIS FOR NEUROLOGICAL DISORDERS Progenicyte Therapeutics, Inc. (US) 2023-09-28 US disclosed
US-20050009733-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a potassium ion channel modulator for the treatment of central nervous system damage PHARMACIA CORPORATION 2005-01-13 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 (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-20050009733-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a potassium ion channel modulator for the treatment of central nervous system damage KCNJ2, KCNN2, KCNK2 ABCC9 633/4885KCNJ11 38/4885ABCC8 1479/4885
US-20230302000-A1 COMBINATION DRUG TREATMENT TO INCREASE NEUROGENESIS FOR NEUROLOGICAL DISORDERS NES, PSEN1, PSEN2 ABCC9 2245/4885KCNJ11 4453/4885ABCC8 373/4885

“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.