SCHEMBL1461643

SCHEMBL1461643

Cc1ccnn1-c1ccc(C#N)cn1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.61
ALDH1A1 P00352 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
KDM5A P29375 2/20 0.40
KDM4C Q9H3R0 2/20 0.40
KDM5B Q9UGL1 2/20 0.40
SMO Q99835 1/20 0.39
FLT3 P36888 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
CYP11B2 P19099 3/20 0.37
EGLN2 Q96KS0 5/20 0.37
PANK3 Q9H999 4/20 0.37
GPR119 Q8TDV5 1/20 0.36
CYP19A1 P11511 1/20 0.35
CYP11B1 P15538 1/20 0.35

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
SCHEMBL23976747 0.79 KDM4E (0.58) KDM4EALDH1A1L3MBTL1SMOFLT3
SCHEMBL15779466 0.77 KDM4C (0.54) KDM4EALDH1A1L3MBTL1KDM5AKDM4C
SCHEMBL18789253 0.76 KDM4E (0.59) KDM4EALDH1A1L3MBTL1
SCHEMBL18865836 0.76 ALDH1A1 (0.43) KDM4EALDH1A1L3MBTL1CYP11B2EGLN2
SCHEMBL30599785 0.75 ALDH1A1 (0.44) KDM4EALDH1A1L3MBTL1KDM5AKDM4C
SCHEMBL12825255 0.74 KDM4E (0.56) KDM4EALDH1A1L3MBTL1SMOFLT3
SCHEMBL1461892 0.73 ALDH1A1 (0.55) KDM4EALDH1A1L3MBTL1SMOFLT3
SCHEMBL23330126 0.73 KDM4E (0.51) KDM4EALDH1A1L3MBTL1SMOFLT3
SCHEMBL23976628 0.72 KDM4E (0.50) KDM4EALDH1A1L3MBTL1SMOFLT3
SCHEMBL24135055 0.71 KCNJ1 (0.45) KDM4EALDH1A1L3MBTL1KDM5AKDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120251551-A1 Substituted (Heteroarylmethyl)thiohydantoins BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-04 US disclosed
US-20120251551-A1 Substituted (Heteroarylmethyl)thiohydantoins BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-04 US disclosed
EP-2475653-A1 SUSTITUTED ( HETEROARYLMETHYL ) THIOHYDANTOINS AS ANTICANCER DRUGS Bayer Pharma Aktiengesellschaft (DE) 2012-07-18 EP disclosed
WO-2011029537-A1 SUSTITUTED ( HETEROARYLMETHYL ) THIOHYDANTOINS AS ANTICANCER DRUGS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-17 WO disclosed
WO-2011029537-A1 SUSTITUTED ( HETEROARYLMETHYL ) THIOHYDANTOINS AS ANTICANCER DRUGS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-17 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-20120251551-A1 Substituted (Heteroarylmethyl)thiohydantoins TPMT, BPHL, VHL KDM4E 2244/4885ALDH1A1 186/4885L3MBTL1 3199/4885

“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.