SCHEMBL12936660

SCHEMBL12936660

COCc1ccccc1-c1ccncc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.50
GSK3B P49841 1/20 0.50
KCNA5 P22460 2/20 0.46
KCNH2 Q12809 2/20 0.46
CYP11B2 P19099 4/20 0.43
CYP11B1 P15538 3/20 0.43
KCNN4 O15554 1/20 0.42
NOTUM Q6P988 1/20 0.40
EPHX1 P07099 1/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
DPP4 P27487 1/20 0.38
IDO1 P14902 1/20 0.38
PIP4K2A P48426 1/20 0.38
PDK2 Q15119 1/20 0.38
ATR Q13535 1/20 0.38
CD274 Q9NZQ7 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
SCHEMBL29788053 0.84 DPP4 (0.54) KCNN4DPP4PDK2ATRCD274
SCHEMBL792032 0.84 DPP4 (0.54) KCNN4DPP4PDK2ATRCD274
SCHEMBL1520835 0.81 KCNA5 (0.46) KCNA5KCNH2CYP11B2CYP11B1NOTUM
SCHEMBL734879 0.80 KCNN4 (0.46) CDK2GSK3BKCNN4RAB9ASMN1; SMN2
SCHEMBL1338590 0.79 FFAR1 (0.46) KCNN4DPP4IDO1PDK2
SCHEMBL4453918 0.79 ABL1 (0.51) KCNN4GAADPP4PDK2CD274
SCHEMBL9289991 0.79 KCNA5 (0.50) KCNA5KCNH2CYP11B2CYP11B1NOTUM
SCHEMBL24196076 0.78 FFAR4 (0.39) CDK2GSK3BCYP11B2CYP11B1KCNN4
SCHEMBL8729686 0.78 DPP4 (0.42) KCNN4RAB9ASMN1; SMN2TP53GAA
SCHEMBL8471084 0.78 KCNN4 (0.39) CDK2GSK3BCYP11B2KCNN4DPP4

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-9512426-B2 Method for rapidly evaluating performance of short interfering RNA with novel chemical modifications SIRNA THERAPEUTICS, INC. (US) 2016-12-06 US disclosed
US-9512426-B2 Method for rapidly evaluating performance of short interfering RNA with novel chemical modifications SIRNA THERAPEUTICS, INC. (US) 2016-12-06 US disclosed
US-20150132761-A1 METHOD FOR RAPIDLY EVALUATING PERFORMANCE OF SHORT INTERFERING RNA WITH NOVEL CHEMICAL MODIFICATIONS BANK OF AMERICA, N.A. 2015-05-14 US disclosed
US-20150132761-A1 METHOD FOR RAPIDLY EVALUATING PERFORMANCE OF SHORT INTERFERING RNA WITH NOVEL CHEMICAL MODIFICATIONS BANK OF AMERICA, N.A. 2015-05-14 US disclosed
US-8877439-B2 Method for rapidly evaluating performance of short interfering RNA with novel chemical modifications SIRNA THERAPEUTICS, INC. (US) 2014-11-04 US disclosed
US-8877439-B2 Method for rapidly evaluating performance of short interfering RNA with novel chemical modifications SIRNA THERAPEUTICS, INC. (US) 2014-11-04 US disclosed
US-20120252027-A1 Method For Rapidly Evaluating Performance Of Short Interfering RNA With Novel Chemical Modifications BANK OF AMERICA, N.A. 2012-10-04 US disclosed
US-20120252027-A1 Method For Rapidly Evaluating Performance Of Short Interfering RNA With Novel Chemical Modifications BANK OF AMERICA, N.A. 2012-10-04 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-20120252027-A1 Method For Rapidly Evaluating Performance Of Short Interfering RNA With Novel Chemical Modifications NSUN2, NSUN3, SNRPE CDK2 3061/4885GSK3B 3912/4885KCNA5 4452/4885

“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.