SCHEMBL1462591

SCHEMBL1462591

Cc1ccn(-c2ccc(C#N)cn2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.57
KDM4E B2RXH2 2/20 0.57
ALDH1A1 P00352 2/20 0.57
MAPT P10636 2/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
ATM Q13315 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
IRAK4 Q9NWZ3 2/20 0.45
SLC34A1 Q06495 1/20 0.41
GRM5 P41594 1/20 0.38
GAA P10253 1/20 0.38
CYP11B2 P19099 2/20 0.37
SMO Q99835 1/20 0.37
TDO2 P48775 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
HCRTR1 O43613 1/20 0.36
FLT3 P36888 1/20 0.36
PANK3 Q9H999 1/20 0.36
EP300 Q09472 3/20 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
SCHEMBL17966634 0.80 KDM4E (0.45) L3MBTL1KDM4EALDH1A1IRAK4GRM5
SCHEMBL10147813 0.78 RAB9A (0.53) L3MBTL1KDM4EALDH1A1MAPTRAB9A
SCHEMBL17966655 0.77 KDM4E (0.45) L3MBTL1KDM4EALDH1A1IRAK4GRM5
SCHEMBL15779263 0.76 GRM5 (0.46) L3MBTL1KDM4EALDH1A1MAPTRAB9A
SCHEMBL15935401 0.76 HTT (0.51) L3MBTL1KDM4EALDH1A1MAPTRAB9A
SCHEMBL17966633 0.76 KDM4E (0.44) L3MBTL1KDM4EALDH1A1IRAK4GRM5
SCHEMBL13933619 0.75 MAPT (0.50) L3MBTL1KDM4EALDH1A1MAPTRAB9A
SCHEMBL19121139 0.75 MAPT (0.50) L3MBTL1KDM4EALDH1A1MAPTRAB9A
SCHEMBL17720582 0.75 MAPT (0.50) L3MBTL1KDM4EALDH1A1MAPTRAB9A
SCHEMBL18789253 0.73 KDM4E (0.59) L3MBTL1KDM4EALDH1A1SLC34A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018017983-A1 COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO RET BLUEPRINT MEDICINES CORPORATION (US) 2018-01-25 WO disclosed
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
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 L3MBTL1 3199/4885KDM4E 2244/4885ALDH1A1 186/4885

“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.