SCHEMBL5503563

SCHEMBL5503563

CCCCCNc1ncc(-c2ccsc2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
STAT1 P42224 1/20 0.42
RAB9A P51151 1/20 0.42
CYP2A6 P11509 3/20 0.41
NPY5R Q15761 2/20 0.41
CYP2E1 P05181 1/20 0.41
CYP2B6 P20813 1/20 0.41
KCNH3 Q9ULD8 2/20 0.39
GAK O14976 2/20 0.39
PDGFRB P09619 3/20 0.38
PDGFRA P16234 3/20 0.38
EEF2K O00418 1/20 0.38
DYRK3 O43781 1/20 0.38
JAK2 O60674 1/20 0.38
RPS6KA5 O75582 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 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
SCHEMBL27873800 0.73 ACHE (0.49) NPC1ALDH1A1MAPTSTAT1RAB9A
SCHEMBL10723921 0.72 CYP2A6 (0.49) ALDH1A1MAPTRAB9ACYP2A6CYP2E1
SCHEMBL18611842 0.71 DNM2 (0.47) KCNH3HDAC3HDAC1HDAC2HDAC8
SCHEMBL563227 0.71 ABL1 (0.42) NPC1ALDH1A1MAPTSTAT1RAB9A
SCHEMBL10724071 0.71 CYP2A6 (0.48) NPC1ALDH1A1MAPTRAB9ACYP2A6
SCHEMBL10722262 0.71 CYP2A6 (0.48) NPC1ALDH1A1MAPTRAB9ACYP2A6
SCHEMBL10723284 0.71 CYP2A6 (0.48) NPC1ALDH1A1MAPTRAB9ACYP2A6
SCHEMBL10721815 0.70 CYP2A6 (0.50) CYP2A6CYP2E1CYP2B6GAKPDGFRB
SCHEMBL20341674 0.69 KMT2A (0.45) NPC1ALDH1A1MAPTRAB9AKCNH3
SCHEMBL13518610 0.69 ABL1 (0.45) NPC1ALDH1A1MAPTSTAT1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070293484-A1 Thiophene Heteroaryl Amines SUGEN, INC. 2007-12-20 US disclosed
EP-1753750-A1 THIOPHENE HETEROARYL AMINES Sugen, Inc. (US) 2007-02-21 EP disclosed
WO-2005113548-A1 THIOPHENE HETEROARYL AMINES SUGEN, INC. (US) 2005-12-01 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-20070293484-A1 Thiophene Heteroaryl Amines TTK, CHEK2, ABL1 FYN 310/4885NPC1 2133/4885ALDH1A1 3195/4885

“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.