SCHEMBL11955165

SCHEMBL11955165

Cc1cc(C(C)(C)C)cc(F)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
MAPT P10636 3/20 0.35
KDM4E B2RXH2 3/20 0.35
GAA P10253 3/20 0.35
HTR1D P28221 2/20 0.33
ALDH1A1 P00352 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
CYP3A4 P08684 2/20 0.32
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL9967860 0.85 GABRA1 (0.42) POLBGABRA1GABRB2MAPTKDM4E
SCHEMBL803405 0.83 POLB (0.46) POLBGABRA1GABRB2MAPTKDM4E
SCHEMBL9737789 0.82 HSP90AA1 (0.41) MAPTKDM4EGAASMN1; SMN2NPC1
SCHEMBL19154841 0.77 HMGCR (0.37) POLBGABRA1GABRB2MAPTKDM4E
SCHEMBL23691461 0.76 POLB (0.41) POLBGABRA1GABRB2MAPTKDM4E
SCHEMBL179483 0.76 GAA (0.42) POLBGABRA1GABRB2MAPTKDM4E
SCHEMBL22243287 0.76 GABRA1 (0.34) POLBGABRA1GABRB2MAPTKDM4E
SCHEMBL22956024 0.76 GABRB2 (0.34) POLBGABRA1GABRB2MAPTKDM4E
SCHEMBL12257695 0.74 POLB (0.39) POLBGABRA1GABRB2MAPTKDM4E
SCHEMBL18051319 0.74 HSP90AA1 (0.52) POLBGABRA1GABRB2MAPTKDM4E

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-10273237-B2 Imidazopyridazine compounds useful as modulators of IL-12, IL-23 and/or IFN-α responses BRISTOL-MYERS SQUIBB COMPANY (US) 2019-04-30 US disclosed
US-8895580-B2 Quinolinone-pyrazolone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2014-11-25 US disclosed
US-8785489-B2 Heteroaryl substituted indole compounds useful as MMP-13 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-22 US disclosed
US-20140163026-A1 8-ETHYL-6-(ARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF NERVOUS SYSTEM DISORDERS AND CANCER AFRAXIS HOLDINGS, INC. (US) 2014-06-12 US disclosed
US-20120196845-A1 QUINOLINONE-PYRAZOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2012-08-02 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-20120196845-A1 QUINOLINONE-PYRAZOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, OPRL1, CHRNA5 POLB 3551/4885GABRA1 261/4885GABRB2 744/4885
US-10273237-B2 Imidazopyridazine compounds useful as modulators of IL-12, IL-23 and/or IFN-α responses TYK2, IFNG, IFNAR1 POLB 2672/4885GABRA1 1190/4885GABRB2 1180/4885
US-20140163026-A1 8-ETHYL-6-(ARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF NERVOUS SYSTEM DISORDERS AND CANCER PAK2, PAK1, PAK6 POLB 3181/4885GABRA1 2675/4885GABRB2 2613/4885

“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.