SCHEMBL5356685

SCHEMBL5356685

c1ccc(-c2csc(-c3ncccn3)c2)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.49
KDM4E B2RXH2 7/20 0.47
RAB9A P51151 7/20 0.47
NPC1 O15118 6/20 0.47
MAPT P10636 2/20 0.47
GLA P06280 1/20 0.47
LMNA P02545 4/20 0.45
CCR1 P32246 2/20 0.45
CCR5 P51681 2/20 0.45
CCR8 P51685 2/20 0.45
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45
METAP1 P53582 1/20 0.45
BLM P54132 1/20 0.45
HIF1A Q16665 1/20 0.45
DOHH Q9BU89 1/20 0.45
P4HTM Q9NXG6 1/20 0.45
TP53 P04637 4/20 0.44
TDP1 Q9NUW8 2/20 0.44
CYP2A6 P11509 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
SCHEMBL28064040 0.81 PDPK1 (0.49) CYP19A1KDM4ERAB9ANPC1MAPT
SCHEMBL752932 0.79 RAB9A (0.52) CYP19A1KDM4ERAB9ANPC1MAPT
SCHEMBL14106734 0.76 PDE10A (0.50) CYP19A1KDM4ERAB9ANPC1MAPT
SCHEMBL3344484 0.76 KDM4E (0.46) CYP19A1KDM4ERAB9ANPC1MAPT
Hydrochloric Acid SCHEMBL15910677 0.75 PIK3CD (0.45) CYP19A1KDM4ERAB9ANPC1MAPT
SCHEMBL6193707 0.74 CYP2A6 (0.44) CYP19A1KDM4ERAB9ANPC1MAPT
SCHEMBL3344560 0.74 PDE10A (0.47) CYP19A1KDM4ERAB9ANPC1MAPT
SCHEMBL28036411 0.72 KDM4E (0.56) CYP19A1KDM4ERAB9ANPC1MAPT
SCHEMBL12632125 0.72 PDE10A (0.42) CYP19A1KDM4ERAB9ANPC1MAPT
SCHEMBL28534899 0.72 KDM4E (0.42) CYP19A1KDM4ERAB9ANPC1MAPT

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
US-7238697-B2 Pyridylpyrimidines for use as pesticides BAYER CROPSCIENCE AG (DE) 2007-07-03 US disclosed
US-20040077641-A1 Pyridyl pyrimidines for use as pesticides BAYER CROPSCIENCE AG (DE) 2004-04-22 US disclosed
EP-1367893-A1 PYRIDYL PYRIMIDINES FOR USE AS PESTICIDES Bayer CropScience AG (DE) 2003-12-10 EP disclosed
WO-2002067684-A1 PYRIDYL PYRIMIDINES FOR USE AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2002-09-06 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-20040077641-A1 Pyridyl pyrimidines for use as pesticides PNPO, P2RX6, P2RX1 CYP19A1 1268/4885KDM4E 2707/4885RAB9A 1035/4885

“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.