SCHEMBL12694792

SCHEMBL12694792

CC(=O)OC(C)C1(C)CO1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM1 P11229 1/20 0.34
TBXA2R P21731 1/20 0.34
GALR3 O60755 1/20 0.33
MAPT P10636 1/20 0.33
BLM P54132 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL2484324 1.00 TSHR (0.44) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL2484323 1.00 TSHR (0.44) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL6848903 0.76 TSHR (0.42) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL13648285 0.71 TDP1 (0.44) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL12608574 0.70
SCHEMBL11553089 0.70 TSHR (0.41) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL17839047 0.69 TSHR (0.36) TSHR
SCHEMBL31374111 0.68 TSHR (0.39) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL4352926 0.65 TSHR (0.41) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL11981298 0.64

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-10221194-B2 Quinazoline analogs as receptor tyrosine kinase inhibitors ARRAY BIOPHARMA INC. (US) 2019-03-05 US disclosed
US-20170260202-A1 QUINAZOLINE ANALOGS AS RECEPTOR TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2017-09-14 US disclosed
US-9676791-B2 Quinazoline analogs as receptor tyrosine kinase inhibitors ARRAY BIOPHARMA INC. (US) 2017-06-13 US disclosed
US-9527865-B2 2016-12-27 US disclosed
US-20130245256-A1 QUINAZOLINE ANALOGS AS RECEPTOR TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2013-09-19 US disclosed
US-8278314-B2 Quinazoline analogs as receptor tyrosine kinase inhibitors ARRAY BIOPHARMA INC. (US) 2012-10-02 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-10221194-B2 Quinazoline analogs as receptor tyrosine kinase inhibitors ABL1, FLT3, RET TSHR 151/4885CHRM2 930/4885CHRM4 1118/4885
US-20130245256-A1 QUINAZOLINE ANALOGS AS RECEPTOR TYROSINE KINASE INHIBITORS ABL1, ERBB2, FLT3 TSHR 783/4885CHRM2 3126/4885CHRM4 3226/4885
US-20170260202-A1 QUINAZOLINE ANALOGS AS RECEPTOR TYROSINE KINASE INHIBITORS ABL1, ERBB2, FLT3 TSHR 516/4885CHRM2 3320/4885CHRM4 2950/4885

“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.