SCHEMBL3665150

SCHEMBL3665150

Cc1nc(N)sc1-c1cccc(C(C)(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.45
PIK3CG P48736 2/20 0.43
HRH2 P25021 3/20 0.41
HRH1 P35367 3/20 0.41
HRH4 Q9H3N8 3/20 0.41
HRH3 Q9Y5N1 3/20 0.41
MAPT P10636 5/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPK1 P28482 3/20 0.40
LMNA P02545 2/20 0.40
TGFBR1 P36897 1/20 0.40
MAPK14 Q16539 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPC1 O15118 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
USP2 O75604 2/20 0.38

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
SCHEMBL330359 0.87 BRD4 (0.51) HRH2HRH1HRH4HRH3ALDH1A1
SCHEMBL8083511 0.81 MEN1 (0.54) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL3668739 0.79 GPR52 (0.44) KIF11ALDH1A1SMN1; SMN2RXRARXRB
SCHEMBL8084192 0.78 MAPT (0.51) HRH2HRH1HRH4HRH3MAPT
SCHEMBL9953765 0.78 TGFBR1 (0.48) HRH2HRH1HRH4HRH3MAPT
SCHEMBL28357067 0.78 MAPT (0.51) HRH2HRH1HRH4HRH3MAPT
SCHEMBL1747883 0.77 ALDH1A1 (0.63) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL5046972 0.76 MAPT (0.57) MAPTALDH1A1MEN1KMT2AMAPK1
Ammonia Solution, Strong SCHEMBL17673846 0.75 ALDH1A1 (0.61) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL30476425 0.75 PIK3CG (0.52) PIK3CGMAPTALDH1A1MEN1KMT2A

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-8940771-B2 Organic compounds NOVARTIS AG (CH) 2015-01-27 US disclosed
EP-2240475-B1 THIAZOLE DERIVATIVES USED AS PI 3 KINASE INHIBITORS NOVARTIS AG (CH) 2013-09-25 EP disclosed
EP-2240475-A1 THIAZOLE DERIVATIVES USED AS PI 3 KINASE INHIBITORS Novartis AG (CH) 2010-10-20 EP disclosed
WO-2009080694-A1 THIAZOLE DERIVATIVES USED AS PI 3 KINASE INHIBITORS NOVARTIS AG (CH) 2009-07-02 WO disclosed
US-20090163469-A1 Organic Compounds NOVARTIS AG 2009-06-25 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 (1 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-20090163469-A1 Organic Compounds PIK3C3, PIK3CA, PIK3CD KIF11 2731/4885PIK3CG 7/4885HRH2 3662/4885

“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.