SCHEMBL6803594

SCHEMBL6803594

CN(C)/C=C(\C#N)C1CC1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL6216179 1.00 KMT2A (0.36) KMT2ARAB9ASMN1; SMN2MEN1MAPT
SCHEMBL19379969 0.79 MEN1 (0.33) KMT2ARAB9ASMN1; SMN2MEN1MAPT
SCHEMBL19379960 0.74 CYP2C9 (0.33) RAB9ACYP2C9
SCHEMBL19397802 0.73 HPGD (0.50) KMT2ASMN1; SMN2MEN1MAPTALDH1A1
SCHEMBL4417140 0.69
SCHEMBL10339258 0.69
SCHEMBL10339260 0.69
SCHEMBL4417136 0.69
SCHEMBL4594308 0.65
SCHEMBL4594305 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170275270-A1 BENZYL SUBSTITUTED INDAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-28 US disclosed
US-20170275270-A1 BENZYL SUBSTITUTED INDAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-28 US disclosed
US-20170275270-A1 BENZYL SUBSTITUTED INDAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-28 US disclosed
WO-2016041925-A1 BENZYL SUBSTITUTED INDAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-03-24 WO disclosed
US-6833364-B1 Inhibiting degradation of cyclic guanosine monophosphate; cardiovascular disorders; such as 3-(4-amino-5-cyclopropyl-pyrimidin-2-yl)-1-(2-fluorobenzyl)1H-pyrazolo-(3,4 -b)-pyridine BAYER HEALTHCARE AG (DE) 2004-12-21 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-20170275270-A1 BENZYL SUBSTITUTED INDAZOLES UGT2B7, CYP3A43, CYP3A7 KMT2A 3489/4885RAB9A 904/4885SMN1; SMN2 1782/4885

“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.