SCHEMBL1569938

SCHEMBL1569938

Cc1nn(C)c(C)c1-c1c[c]ccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.46
HTR1A P08908 2/20 0.46
MAPT P10636 1/20 0.44
CREBBP Q92793 1/20 0.43
BRD4 O60885 5/20 0.40
CDK8 P49336 1/20 0.40
ACVR1 Q04771 1/20 0.40
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
PDE10A Q9Y233 2/20 0.34
DHODH Q02127 1/20 0.34
POLB P06746 2/20 0.33
CHRM5 P08912 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
HTR3A P46098 1/20 0.33
HTR5A P47898 1/20 0.33
TMEM97 Q5BJF2 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
SCHEMBL20320421 0.78 MAPT (0.67) HTR7HTR1AMAPTCREBBPBRD4
SCHEMBL29050457 0.71 CYP1A2 (0.52) MAPTPOLBGAASMN1; SMN2ALDH1A1
SCHEMBL12944870 0.71 MAPT (0.47) HTR7HTR1AMAPTCREBBPBRD4
SCHEMBL21053897 0.70 COMT (0.45) BRD4PRMT5WDR77POLBGAA
SCHEMBL27088353 0.70 HTR7 (0.56) HTR7HTR1AMAPTCREBBPBRD4
SCHEMBL26818537 0.69 HTR7 (0.43) HTR7HTR1AMAPTCREBBPBRD4
SCHEMBL2750874 0.69 HTR7 (0.37) HTR7BRD4ALDH1A1
SCHEMBL28592114 0.68 CYP2A6 (0.32)
SCHEMBL62501 0.68 KMT2A (0.62) MAPTHPGDALDH1A1NPC1RAB9A
SCHEMBL12362814 0.68 HTR7 (0.51) HTR7HTR1AMAPTCREBBPBRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2307385-A1 2 -ARYLAMINOQUINAZOLINES FOR TREATING PROLIFERATIVE DISEASES Novartis AG (CH) 2011-04-13 EP disclosed
US-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION AIKAWA MINA 2010-08-26 US disclosed
US-20100121052-A1 Novel compounds for treating proliferative diseases JAIN RAMA 2010-05-13 US disclosed
WO-2009153313-A1 2 -ARYLAMINOQUINAZOLINES FOR TREATING PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2009-12-23 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-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION PDK1, PDK2, PDK3 HTR7 4125/4885HTR1A 4456/4885MAPT 2829/4885
US-20100121052-A1 Novel compounds for treating proliferative diseases PDK1, PDK2, PDK3 HTR7 4594/4885HTR1A 4459/4885MAPT 2316/4885

“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.