SCHEMBL4126337

SCHEMBL4126337

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

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
CYP11B2 P19099 3/20 0.33
GRM5 P41594 1/20 0.32
CYP19A1 P11511 2/20 0.32
CYP11B1 P15538 2/20 0.32
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
MAPK14 Q16539 1/20 0.30
ROS1 P08922 1/20 0.30
P2RX7 Q99572 1/20 0.30

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
SCHEMBL3697515 0.87 MAPT (0.36) CDK4CCND1GRM5ALDH1A1MAPK14
SCHEMBL3701053 0.85 RIPK1 (0.32) GRM5P2RX7
SCHEMBL4130300 0.83 P2RX7 (0.35) GRM5ALDH1A1P2RX7
SCHEMBL3705315 0.78 MAPK11 (0.36) MAPK14P2RX7
SCHEMBL3692657 0.77 ALDH1A1 (0.44) ALDH1A1
SCHEMBL4119116 0.76 ATM (0.35) CDK4CCND1POLBP2RX7
SCHEMBL3693373 0.74 MAPK11 (0.34) CDK4CCND1ALDH1A1MAPK14
SCHEMBL3690717 0.73 ALDH1A1 (0.33) CDK4CCND1ALDH1A1P2RX7
SCHEMBL3697121 0.73 NOTUM (0.34) MAPK14
SCHEMBL3690712 0.72 HTR2C (0.45) CDK4CCND1

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 CDK4 1712/4885CCND1 3534/4885CYP11B2 441/4885

“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.