SCHEMBL270340

SCHEMBL270340

CC(C)(C)c1ccc(Cc2ccncc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
LMNA P02545 2/20 0.62
HTT P42858 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
POLB P06746 2/20 0.62
NPSR1 Q6W5P4 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
KIF11 P52732 1/20 0.59
ADRA2A P08913 1/20 0.51
ADRA2B P18089 1/20 0.51
ADRA2C P18825 1/20 0.51
ADRA1D P25100 1/20 0.51
HTR1D P28221 1/20 0.51
HTR1B P28222 1/20 0.51
ADRA1A P35348 1/20 0.51
ADRA1B P35368 1/20 0.51
PDGFRB P09619 1/20 0.49
KIT P10721 1/20 0.49
FLT1 P17948 1/20 0.49
KDR P35968 1/20 0.49

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
SCHEMBL348623 0.86 TSHR (0.52) ALDH1A1LMNAHTTSMN1; SMN2POLB
SCHEMBL29368095 0.83 KIF11 (0.55) ALDH1A1LMNAHTTSMN1; SMN2POLB
SCHEMBL9587694 0.83 KIF11 (0.55) ALDH1A1LMNAHTTSMN1; SMN2POLB
SCHEMBL13873567 0.81 CYP17A1 (0.65) ALDH1A1POLBCYP17A1CYP11B1CYP11B2
SCHEMBL9826413 0.80 KIF11 (0.52) ALDH1A1LMNAHTTSMN1; SMN2POLB
SCHEMBL28778935 0.79 ADRA2A (0.45) ALDH1A1LMNAHTTSMN1; SMN2POLB
SCHEMBL65312 0.78 KIF11 (0.71) ALDH1A1LMNAHTTSMN1; SMN2POLB
SCHEMBL820736 0.78 KIF11 (0.71) ALDH1A1LMNAHTTSMN1; SMN2POLB
SCHEMBL721736 0.78 CYP17A1 (0.61) ALDH1A1SMN1; SMN2POLBCYP17A1CYP11B1
SCHEMBL26780088 0.78 ESR1 (0.55) ALDH1A1LMNAHTTSMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138199-B2 Use of bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2012-03-20 US disclosed
US-8133900-B2 Use of bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2012-03-13 US disclosed
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN, INC. (US) 2011-09-01 US disclosed
US-7825246-B2 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2010-11-02 US disclosed
US-20090286789-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases TARGEGEN, INC. (US) 2009-11-19 US disclosed
US-20090275582-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases IMPACT BIOMEDICINES, INC. 2009-11-05 US disclosed
US-7528143-B2 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2009-05-05 US disclosed
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2007-11-08 US disclosed
US-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2007-08-16 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-20090286789-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases JAK2, TYK2, LTK ALDH1A1 3662/4885LMNA 4525/4885HTT 2734/4885
US-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 ALDH1A1 3235/4885LMNA 4817/4885HTT 3657/4885
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 ALDH1A1 3235/4885LMNA 4817/4885HTT 3657/4885
US-20090275582-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases JAK2, TYK2, JAK3 ALDH1A1 3235/4885LMNA 4817/4885HTT 3657/4885
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES JAK2, TYK2, JAK3 ALDH1A1 3235/4885LMNA 4817/4885HTT 3657/4885

“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.