SCHEMBL2755103

SCHEMBL2755103

CC(C)C1(C(C)C)CC2(CCNCC2)C1

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.35
TSHR P16473 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
SCHEMBL2755071 0.86 TSHR (0.40) CYP1A2TSHR
SCHEMBL11886190 0.78 CYP1A2 (0.31) CYP1A2
SCHEMBL12733693 0.78 CYP1A2 (0.34) CYP1A2
SCHEMBL2755092 0.74
SCHEMBL19286934 0.74
SCHEMBL2755099 0.73 CYP2D6 (0.34) CYP1A2TSHR
SCHEMBL31346933 0.72 TSHR (0.34) CYP1A2TSHR
SCHEMBL16969448 0.70 TSHR (0.31) CYP1A2TSHR
SCHEMBL10287474 0.70 TSHR (0.31) CYP1A2TSHR
SCHEMBL12026390 0.70 CXCR4 (0.32) CYP1A2

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-8962596-B2 5,7-substituted-imidazo[1,2-C]pyrimidines as inhibitors of JAK kinases ARRAY BIOPHARMA INC. (US) 2015-02-24 US disclosed
US-8536193-B2 Inhibitors of AKT activity MERCK SHARP & DOHME CORP. (US) 2013-09-17 US disclosed
US-20130131039-A1 5,7-SUBSTITUTED-IMIDAZO[1,2-C]PYRIMIDINES AS INHIBITORS OF JAK KINASES ARRAY BIOPHARMA INC. (US) 2013-05-23 US disclosed
US-20120004240-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME LLC 2012-01-05 US disclosed
US-20110082135-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME LLC 2011-04-07 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-20130131039-A1 5,7-SUBSTITUTED-IMIDAZO[1,2-C]PYRIMIDINES AS INHIBITORS OF JAK KINASES JAK1, JAK3, JAK2 CYP1A2 1615/4885TSHR 886/4885
US-20120004240-A1 INHIBITORS OF AKT ACTIVITY PIK3CD, PIK3CA, PIK3R5 CYP1A2 4093/4885TSHR 3185/4885
US-20110082135-A1 INHIBITORS OF AKT ACTIVITY PIK3CA, AKT1S1, AKT1 CYP1A2 3892/4885TSHR 3128/4885

“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.