SCHEMBL1967097

SCHEMBL1967097

Cc1ccn2c(Nc3ccccc3)c(C(C)C)nc2c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 14/20 0.59
SMN1; SMN2 Q16637 8/20 0.59
HTT P42858 3/20 0.59
KMT2A Q03164 3/20 0.59
NPSR1 Q6W5P4 3/20 0.59
TDP1 Q9NUW8 3/20 0.59
MITF O75030 1/20 0.59
TP53 P04637 8/20 0.57
ALDH1A1 P00352 3/20 0.57
GFER P55789 1/20 0.57
MAPT P10636 11/20 0.55
THRB P10828 1/20 0.55
POLB P06746 2/20 0.52
PKM P14618 1/20 0.45
PKLR P30613 1/20 0.45
KDM4E B2RXH2 2/20 0.44
LMNA P02545 1/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL1969742 0.88 GAA (0.56) GAASMN1; SMN2HTTKMT2ANPSR1
SCHEMBL1967740 0.83 ALDH1A1 (0.58) GAASMN1; SMN2HTTTDP1TP53
SCHEMBL15152557 0.80 GAA (0.60) GAASMN1; SMN2HTTKMT2ANPSR1
SCHEMBL15152576 0.80 GAA (0.48) GAASMN1; SMN2HTTKMT2ANPSR1
SCHEMBL1967220 0.80 GAA (0.74) GAASMN1; SMN2HTTKMT2ANPSR1
SCHEMBL2986228 0.78 GAA (0.59) GAASMN1; SMN2HTTKMT2ANPSR1
SCHEMBL2989284 0.78 GAA (0.59) GAASMN1; SMN2HTTKMT2ANPSR1
SCHEMBL1987906 0.78 TRPA1 (0.42) GAASMN1; SMN2HTTKMT2ANPSR1
SCHEMBL2984318 0.76 GAA (0.57) GAASMN1; SMN2HTTKMT2ANPSR1
SCHEMBL2738311 0.75 ALDH1A1 (0.55) GAASMN1; SMN2TP53ALDH1A1GFER

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-20100173930-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC. 2010-07-08 US claimed
WO-2008016648-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-02-07 WO claimed
EP-2334675-B1 IMIDAZOPYRIDINES AND IMIDAZOPYRIMIDINES AS HIV-I REVERSE TRANSCRIPTASE INHIBITORS CSIR (ZA) 2014-03-26 EP disclosed
US-8501767-B2 Imidazopyridines and imidazopyrimidines as HIV-1 reverse transcriptase inhibitors CSIR (ZA) 2013-08-06 US disclosed
US-20110312957-A1 IMIDAZOPYRIDINES AND IMIDAZOPYRIMIDINES AS HIV-I REVERSE TRANSCRIPTASE INHIBITORS CSIR (ZA) 2011-12-22 US disclosed
EP-2334675-A1 IMIDAZOPYRIDINES AND IMIDAZOPYRIMIDINES AS HIV-I REVERSE TRANSCRIPTASE INHIBITORS CSIR (ZA) 2011-06-22 EP disclosed
US-20100173930-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC. 2010-07-08 US disclosed
WO-2010032195-A1 IMIDAZOPYRIDINES AND IMIDAZOPYRIMIDINES AS HIV-I REVERSE TRANSCRIPTASE INHIBITORS CSIR (ZA) 2010-03-25 WO disclosed
WO-2008016648-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-02-07 WO 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-20110312957-A1 IMIDAZOPYRIDINES AND IMIDAZOPYRIMIDINES AS HIV-I REVERSE TRANSCRIPTASE INHIBITORS TYMP, IMPDH1, DPYD GAA 441/4885SMN1; SMN2 3745/4885HTT 4474/4885
US-20100173930-A1 Certain Chemical Entities, Compositions and Methods TNNC1, TNNI3, TNNT2 GAA 820/4885SMN1; SMN2 46/4885HTT 374/4885

“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.