SCHEMBL4119113

SCHEMBL4119113

CN(Cc1cc(Sc2cccnc2)n(-c2cc(F)ccc2Cl)n1)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32
P2RX7 Q99572 3/20 0.31
SGMS2 Q8NHU3 1/20 0.31
PKM P14618 1/20 0.31
IDO1 P14902 1/20 0.31
CACNA1G O43497 1/20 0.31
CACNA1H O95180 1/20 0.31
CACNA1I Q9P0X4 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
CNR1 P21554 1/20 0.31
GPBAR1 Q8TDU6 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL4128944 0.89 SLC16A3 (0.38) MAPTHTR2CSLC6A4LMNACNR1
SCHEMBL3690712 0.88 HTR2C (0.45) CDK4CCND1HTR2CSLC6A4SGMS2
SCHEMBL4120305 0.88 MDM2 (0.36) HTR2CSLC6A4LMNAGPBAR1NPSR1
SCHEMBL3690717 0.87 ALDH1A1 (0.33) ALDH1A1MAPTCDK4CCND1P2RX7
SCHEMBL4136934 0.86 KCNQ3 (0.32) CDK4CCND1HTR2CSLC6A4
SCHEMBL4131517 0.86 GPBAR1 (0.33) ALDH1A1HTR2CSLC6A4P2RX7CACNA1G
SCHEMBL4119116 0.82 ATM (0.35) MAPTCDK4CCND1P2RX7SGMS2
SCHEMBL4135340 0.82 CNR1 (0.36) HTR2CSLC6A4P2RX7CNR1
SCHEMBL3700851 0.81 HTR2C (0.39) HTR2CSLC6A4
SCHEMBL3700854 0.80 NAMPT (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2190822-B1 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2014-12-31 EP disclosed
US-20090156642-A1 5-Membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 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-20090156642-A1 5-Membered heterocyclic compound CEL, PGA5, COG5 ALDH1A1 1497/4885MAPT 4258/4885CDK4 1712/4885

“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.