SCHEMBL10164056

SCHEMBL10164056

CCc1cc(C(C)(C)O)ccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
POLB P06746 1/20 0.47
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
CDC7 O00311 2/20 0.38
MAP4K4 O95819 2/20 0.38
PLK4 O00444 1/20 0.38
CHEK1 O14757 1/20 0.38
AURKA O14965 1/20 0.38
PDPK1 O15530 1/20 0.38
JAK2 O60674 1/20 0.38
PAK4 O96013 1/20 0.38
CHEK2 O96017 1/20 0.38
ABL1 P00519 1/20 0.38
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
CDK1 P06493 1/20 0.38
CSF1R P07333 1/20 0.38
RET P07949 1/20 0.38
FGFR1 P11362 1/20 0.38

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
SCHEMBL1908532 0.84 POLB (0.46) CYP1A2POLBMAP4K4CYP3A4CYP2D6
SCHEMBL17411781 0.83 HCRTR1 (0.39) CYP1A2POLBHCRTR1HCRTR2CDC7
SCHEMBL10263214 0.82 CYP1A2 (0.44) CYP1A2POLBMAP4K4CYP3A4CYP2D6
SCHEMBL26068780 0.82 CYP1A2 (0.42) CYP1A2POLBHCRTR1HCRTR2CYP3A4
Hydrochloric Acid SCHEMBL29289897 0.81 HCRTR1 (0.39) CYP1A2POLBHCRTR1HCRTR2CDC7
SCHEMBL19190970 0.81 CYP1A2 (0.43) CYP1A2POLBMAP4K4CYP3A4CYP2D6
SCHEMBL2616106 0.78 NOS3 (0.52) CYP1A2POLBCYP3A4CYP2D6PSEN1
SCHEMBL31555358 0.74 CYP1A2 (0.52) CYP1A2POLBCDC7MAP4K4CYP3A4
SCHEMBL9444981 0.74 SYK (0.38) HCRTR1HCRTR2CYP3A4SYKTSHR
SCHEMBL2735689 0.74 UHRF1 (0.48) HCRTR1HCRTR2CDK8CYP3A4PSEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200339530-A1 UREA DERIVATIVES AS INHIBITORS OF ASK1 HEPAGENE THERAPEUTICS, INC. (VG) 2020-10-29 US disclosed
US-20180044287-A1 SULFONYLUREAS AND RELATED COMPOUNDS AND USE OF SAME INFLAZOME LIMITED (IE) 2018-02-15 US disclosed
US-20170022192-A1 AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL-MYERS SQUIBB COMPANY 2017-01-26 US disclosed
US-9505748-B2 Amide-substituted heterocyclic compounds useful as modulators of IL-12, IL-23 and/or IFNα responses BRISTOL-MYERS SQUIBB COMPANY (US) 2016-11-29 US disclosed
US-20150299183-A1 AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL-MYERS SQUIBB COMPANY 2015-10-22 US disclosed
US-20120053202-A1 POLYSUBSTITUTED DERIVATIVES OF 6-HETEROARYLIMIDAZO[1,2-a]PYRIDINES, AND PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2012-03-01 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 (5 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-20150299183-A1 AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES IFNG, IFNAR1, TYK2 CYP1A2 1393/4885POLB 2458/4885HCRTR1 2328/4885
US-20120053202-A1 POLYSUBSTITUTED DERIVATIVES OF 6-HETEROARYLIMIDAZO[1,2-a]PYRIDINES, AND PREPARATION AND THERAPEUTIC USE THEREOF CYP4X1, HAX1, JAK2 CYP1A2 21/4885POLB 4054/4885HCRTR1 930/4885
US-20170022192-A1 AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES IFNG, IFNAR1, TYK2 CYP1A2 1393/4885POLB 2458/4885HCRTR1 2328/4885
US-20180044287-A1 SULFONYLUREAS AND RELATED COMPOUNDS AND USE OF SAME NLRP3, PYCARD, IAPP CYP1A2 4288/4885POLB 4825/4885HCRTR1 1703/4885
US-20200339530-A1 UREA DERIVATIVES AS INHIBITORS OF ASK1 ATF1, ERN1, MAP3K1 CYP1A2 3081/4885POLB 2510/4885HCRTR1 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.