SCHEMBL831288

SCHEMBL831288

C=CCC1(N)CCN(Cc2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.53
HSD17B10 Q99714 1/20 0.53
SIGMAR1 Q99720 6/20 0.52
OPRL1 P41146 2/20 0.50
TSHR P16473 3/20 0.49
ALDH1A1 P00352 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
HIF1A Q16665 1/20 0.49
POLB P06746 1/20 0.49
OPRM1 P35372 1/20 0.47
CYP2D6 P10635 2/20 0.46
CCR3 P51677 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
MC4R P32245 1/20 0.45

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
SCHEMBL1586461 0.80 CYP3A4 (0.59) CYP3A4HSD17B10SIGMAR1OPRL1TSHR
SCHEMBL8144091 0.80 MAOA (0.66) CYP3A4HSD17B10SIGMAR1OPRL1TSHR
Hydrochloric Acid SCHEMBL6543428 0.79 MAOA (0.63) CYP3A4HSD17B10SIGMAR1OPRL1TSHR
SCHEMBL1992310 0.79 CYP3A4 (0.57) CYP3A4HSD17B10SIGMAR1OPRL1TSHR
SCHEMBL1973357 0.79 OPRL1 (0.58) CYP3A4HSD17B10SIGMAR1OPRL1TSHR
SCHEMBL17767879 0.77 NPFFR1 (0.60) CYP3A4HSD17B10SIGMAR1OPRL1TSHR
Methane SCHEMBL4247840 0.76 SIGMAR1 (0.63) CYP3A4HSD17B10SIGMAR1OPRL1TSHR
SCHEMBL28641509 0.76 OPRL1 (0.51) CYP3A4HSD17B10SIGMAR1OPRL1TSHR
SCHEMBL1994180 0.75 SIGMAR1 (0.61) CYP3A4HSD17B10SIGMAR1OPRL1TSHR
SCHEMBL9749110 0.74 MAOA (0.56) CYP3A4HSD17B10SIGMAR1OPRL1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2760862-B1 6-(4-HYDROXY-PHENYL)-3-ALKYL-1H-PYRAZOLO[3,4-B]PYRIDINE-4-CARBOXYLIC ACID AMIDE DERIVATIVES AS KINASE INHIBITORS SANOFI SA (FR) 2015-10-21 EP disclosed
EP-2760862-B1 6-(4-HYDROXY-PHENYL)-3-ALKYL-1H-PYRAZOLO[3,4-B]PYRIDINE-4-CARBOXYLIC ACID AMIDE DERIVATIVES AS KINASE INHIBITORS SANOFI SA (FR) 2015-10-21 EP disclosed
EP-2760862-A1 6-(4-HYDROXY-PHENYL)-3-ALKYL-1H-PYRAZOLO[3,4-B]PYRIDINE-4-CARBOXYLIC ACID AMIDE DERIVATIVES AS KINASE INHIBITORS SANOFI (FR) 2014-08-06 EP disclosed
WO-2013045413-A1 6-(4-HYDROXY-PHENYL)-3-ALKYL-1H-PYRAZOLO[3,4-B]PYRIDINE-4-CARBOXYLIC ACID AMIDE DERIVATIVES AS KINASE INHIBITORS SANOFI (FR) 2013-04-04 WO disclosed
WO-2013045413-A1 6-(4-HYDROXY-PHENYL)-3-ALKYL-1H-PYRAZOLO[3,4-B]PYRIDINE-4-CARBOXYLIC ACID AMIDE DERIVATIVES AS KINASE INHIBITORS SANOFI (FR) 2013-04-04 WO disclosed
US-20130085128-A1 6-(4-Hydroxy-phenyl)-3-alkyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid amide derivatives as kinase inhibitors SANOFI (FR) 2013-04-04 US disclosed
US-20130085128-A1 6-(4-Hydroxy-phenyl)-3-alkyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid amide derivatives as kinase inhibitors SANOFI (FR) 2013-04-04 US disclosed
US-20130085128-A1 6-(4-Hydroxy-phenyl)-3-alkyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid amide derivatives as kinase inhibitors SANOFI (FR) 2013-04-04 US disclosed
US-8143451-B2 Reacting a ketone with an allyl boron compound anc ammonia or ammonium salt; synthons KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2012-03-27 US disclosed
US-8143451-B2 Reacting a ketone with an allyl boron compound anc ammonia or ammonium salt; synthons KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2012-03-27 US disclosed
US-8143451-B2 Reacting a ketone with an allyl boron compound anc ammonia or ammonium salt; synthons KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2012-03-27 US disclosed
US-20080139847-A1 METHODS OF PREPARING TERTIARY CARBINAMINE COMPOUNDS KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2008-06-12 US disclosed
US-20080139847-A1 METHODS OF PREPARING TERTIARY CARBINAMINE COMPOUNDS KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2008-06-12 US disclosed
US-20080139847-A1 METHODS OF PREPARING TERTIARY CARBINAMINE COMPOUNDS KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2008-06-12 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-20080139847-A1 METHODS OF PREPARING TERTIARY CARBINAMINE COMPOUNDS INMT, CROCC, GNMT CYP3A4 430/4885HSD17B10 2555/4885SIGMAR1 1972/4885
US-20130085128-A1 6-(4-Hydroxy-phenyl)-3-alkyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid amide derivatives as kinase inhibitors MAP3K1, MAP3K6, MAP4K2 CYP3A4 2218/4885HSD17B10 2744/4885SIGMAR1 3169/4885

“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.