SCHEMBL4501952

SCHEMBL4501952

O=C(O)c1sc(-c2cccnc2)nc1Nc1cc(F)ccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.52
CYP3A4 P08684 4/20 0.52
CYP2C19 P33261 3/20 0.52
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
LMNA P02545 1/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
IRAK4 Q9NWZ3 1/20 0.42
BLM P54132 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
MAPK1 P28482 1/20 0.40
ATM Q13315 1/20 0.40
MAPT P10636 2/20 0.39
BTK Q06187 2/20 0.39
EIF4E P06730 1/20 0.39

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
SCHEMBL3830680 0.91 CYP1A2 (0.52) CYP1A2CYP3A4CYP2C19MEN1KMT2A
SCHEMBL3831402 0.86 IRAK4 (0.54) CYP1A2CYP3A4CYP2C19MEN1KMT2A
SCHEMBL3828878 0.81 CYP1A2 (0.49) CYP1A2CYP3A4CYP2C19MEN1KMT2A
SCHEMBL4213004 0.79 CYP3A4 (0.44) CYP1A2CYP3A4CYP2C19MEN1KMT2A
SCHEMBL3828117 0.78 CYP1A2 (0.53) CYP1A2CYP3A4CYP2C19MEN1KMT2A
SCHEMBL13674672 0.76 PLA2G10 (0.48) NPC1RAB9AKDM4EMAPTBTK
SCHEMBL13674702 0.75 KDM4E (0.46) CYP1A2CYP3A4CYP2C19MEN1KMT2A
SCHEMBL3831660 0.74 CYP1A2 (0.53) CYP1A2CYP3A4CYP2C19MEN1KMT2A
SCHEMBL3824433 0.74 CDC7 (0.55) NPC1RAB9AMAPTCDC7DBF4
SCHEMBL14141917 0.73 CYP1A2 (0.57) CYP1A2CYP3A4CYP2C19MEN1KMT2A

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-20090270456-A1 Novel chemical compounds HASEGAWA MASAICHI 2009-10-29 US claimed
US-20090270456-A1 Novel chemical compounds HASEGAWA MASAICHI 2009-10-29 US disclosed
US-20090270456-A1 Novel chemical compounds HASEGAWA MASAICHI 2009-10-29 US disclosed
US-20090270456-A1 Novel chemical compounds HASEGAWA MASAICHI 2009-10-29 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-20090270456-A1 Novel chemical compounds HIPK3, HIPK2, HIPK1 CYP1A2 4691/4885CYP3A4 4832/4885CYP2C19 4876/4885

“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.