SCHEMBL935595

SCHEMBL935595

C=CCc1nc(Nc2ccccn2)sc1CCCCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.40
LMNA P02545 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPK10 P53779 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
GRM4 Q14833 1/20 0.36
MECP2 P51608 1/20 0.36
KCNN1 Q92952 1/20 0.36
KCNN2 Q9H2S1 1/20 0.36
MBD2 Q9UBB5 1/20 0.36
KCNN3 Q9UGI6 1/20 0.36
NPC1 O15118 6/20 0.35
RAB9A P51151 6/20 0.35
TRPV4 Q9HBA0 1/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
ALOX12 P18054 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.35

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
SCHEMBL939399 0.71 KDR (0.57) KDRALOX12SMN1; SMN2HTTCDK5
SCHEMBL15993497 0.68 NPC1 (0.39) KDRLMNANPC1RAB9AMEN1
SCHEMBL15993450 0.67 NPC1 (0.39) KDRLMNANPC1RAB9AMEN1
SCHEMBL29044438 0.66 ALDH1A1 (0.54) KDRLMNAALDH1A1MAPK10RXFP1
SCHEMBL29044460 0.66 LMNA (0.57) KDRLMNAALDH1A1MAPK10RXFP1
SCHEMBL27944651 0.65 THRA (0.42) MAPTKDM4EHSD17B10
SCHEMBL28959095 0.64 KDM4E (0.32) LMNAALDH1A1MEN1KMT2AKDM4E
SCHEMBL16295065 0.64 GRM5 (0.55) LMNAALDH1A1MAPK10NPC1RAB9A
Hydrochloric Acid SCHEMBL28262121 0.64 HRH1 (0.51) LMNAALDH1A1NPC1RAB9AALOX12
SCHEMBL27723681 0.63 TDP1 (0.42) ALDH1A1MEN1KMT2AMAPTKDM4E

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-7868188-B2 5-heteroaryl thiazoles and their use as PI3K inhibitors ASTRAZENECA AB (SE) 2011-01-11 US disclosed
EP-1841763-B1 5-HETEROARYL THIAZOLES AND THEIR USE AS PI3K INHIBITORS ASTRAZENECA AB (SE) 2010-06-30 EP disclosed
US-20080132502-A1 5-Heteroaryl Thiazoles And Their Use As PI3K Inhibitors ASTRAZENECA AB (SE) 2008-06-05 US disclosed
EP-1841763-A1 5-HETEROARYL THIAZOLES AND THEIR USE AS PI3K INHIBITORS AstraZeneca AB (SE) 2007-10-10 EP disclosed
WO-2006051270-A1 5-HETEROARYL THIAZOLES AND THEIR USE AS P13K INHIBITORS ASTRAZENECA AB (SE) 2006-05-18 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 (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-20080132502-A1 5-Heteroaryl Thiazoles And Their Use As PI3K Inhibitors MTOR, PIK3R5, PIK3CA KDR 511/4885LMNA 4256/4885ALDH1A1 2310/4885

“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.