SCHEMBL1953738

SCHEMBL1953738

CC(C)(C)[C@](C)(O)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.56
▸ ALDH1A1 P00352 3/20 0.56
▸ HMGCR P04035 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ TBXA2R P21731 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ TET2 Q6N021 1/20 0.35
▸ TP53 P04637 1/20 0.33
▸ FFAR3 O14843 1/20 0.31
▸ LCK P06239 1/20 0.31
▸ FYN P06241 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
SCHEMBL2102481 1.00 TSHR (0.56) TSHRALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL1953736 1.00 TSHR (0.56) TSHRALDH1A1HMGCRCHRM1TBXA2R
Ammonia Solution, Strong SCHEMBL28791009 0.97 TSHR (0.53) TSHRALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL10472538 0.85 ALDH1A1 (0.64) TSHRALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL10453248 0.85 ALDH1A1 (0.64) TSHRALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL606619 0.85 ALDH1A1 (0.64) TSHRALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL2031851 0.79 TSHR (0.56) TSHRALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL28116541 0.79 TSHR (0.56) TSHRALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL569205 0.76 ALDH1A1 (0.53) TSHRALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL3112519 0.76 TSHR (0.53) TSHRALDH1A1HMGCRCHRM1TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110136781-A1 IMIDAZOTRIAZINES AND IMIDAZOPYRIMIDINES AS KINASE INHIBITORS INCYTE CORPORATION (US) 2011-06-09 — — US disclosed
US-7767675-B2 Imidazotriazines and imidazopyrimidines as kinase inhibitors INCYTE CORPORATION (US) 2010-08-03 — — US disclosed
US-20080167287-A1 IMIDAZOTRIAZINES AND IMIDAZOPYRIMIDINES AS KINASE INHIBITORS INCYTE CORPORATION (US) 2008-07-10 — — 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-20110136781-A1 IMIDAZOTRIAZINES AND IMIDAZOPYRIMIDINES AS KINASE INHIBITORS ERBB2, MERTK, ABL1 TSHR 1722/4885ALDH1A1 1368/4885HMGCR 4554/4885
US-20080167287-A1 IMIDAZOTRIAZINES AND IMIDAZOPYRIMIDINES AS KINASE INHIBITORS ERBB2, MERTK, ABL1 TSHR 1722/4885ALDH1A1 1368/4885HMGCR 4554/4885

“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.

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