SCHEMBL19251665

SCHEMBL19251665

CCCC(C)(C)c1cncc(C#N)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.39
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
CHRNB2 P17787 6/20 0.35
CHRNA4 P43681 6/20 0.35
CHRNB4 P30926 5/20 0.35
CHRNA3 P32297 5/20 0.35
RAF1 P04049 1/20 0.34
CYP11B1 P15538 1/20 0.33
CYP1A2 P05177 1/20 0.32
METAP2 P50579 1/20 0.32
PTGER4 P35408 1/20 0.32
USP7 Q93009 1/20 0.32

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
SCHEMBL18935594 0.86 CYP11B2 (0.40) CYP11B2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL19633835 0.82 CNR2 (0.35) CNR1CNR2
SCHEMBL19592946 0.80 CNR2 (0.38) CYP11B2CNR1CNR2CHRNB2CHRNA4
SCHEMBL19251214 0.79 CYP11B2 (0.37) CYP11B2RAF1CYP11B1CYP1A2METAP2
SCHEMBL9967844 0.78 KIF11 (0.44) CYP11B2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL19274420 0.77 CNR2 (0.33) CNR1CNR2
SCHEMBL18516838 0.75 CNR2 (0.36) CYP11B2CNR1CNR2CHRNB2CHRNA4
SCHEMBL14822598 0.75 CYP11B2 (0.55) CYP11B2RAF1CYP11B1
SCHEMBL22338688 0.75 CYP1A2 (0.40) CYP11B2RAF1CYP11B1CYP1A2METAP2
SCHEMBL19040922 0.75 CNR2 (0.53) CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10889571-B2 Substituted benzoimidazoles and imidazo[4,5-c]pyridines for treating certain leukemias Terns, Inc. (US) 2021-01-12 US disclosed
US-10858360-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-12-08 US disclosed
US-20200087283-A1 COMPOUNDS FOR TREATING CERTAIN LEUKEMIAS Terns, Inc. (US) 2020-03-19 US disclosed
US-9732083-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-15 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 (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-20200087283-A1 COMPOUNDS FOR TREATING CERTAIN LEUKEMIAS ABL1, ABL2, BCR CYP11B2 3542/4885CNR1 4740/4885CNR2 4682/4885
US-10858360-B2 Tricyclic gyrase inhibitors TOP1, TOP2A, TOP2B CYP11B2 450/4885CNR1 4239/4885CNR2 4524/4885
US-10889571-B2 Substituted benzoimidazoles and imidazo[4,5-c]pyridines for treating certain leukemias ABL1, ABL2, BCR CYP11B2 2094/4885CNR1 4256/4885CNR2 4035/4885

“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.