SCHEMBL5885533

SCHEMBL5885533

C#CCNc1cccc(C#N)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
ALDH1A1 P00352 4/20 0.46
MAPT P10636 3/20 0.46
KMT2A Q03164 2/20 0.45
IDO1 P14902 1/20 0.45
MEN1 O00255 1/20 0.45
NOS1 P29475 1/20 0.45
KCNA5 P22460 1/20 0.44
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HDAC4 P56524 1/20 0.41
MEF2D Q14814 1/20 0.41

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
SCHEMBL20474241 0.82 KCNH3 (0.47) ALDH1A1MAPTKMT2AMEN1HTT
SCHEMBL3671419 0.81 GABRG2 (0.50) LMNAALDH1A1MAPTKMT2AIDO1
SCHEMBL28868850 0.79 EGFR (0.40) LMNAALDH1A1MAPTKMT2AIDO1
SCHEMBL6972024 0.79 MAPT (0.46) LMNAALDH1A1MAPTKMT2AIDO1
SCHEMBL17700200 0.77 ALDH1A1 (0.45) LMNAALDH1A1MAPTKMT2AIDO1
SCHEMBL12932874 0.77 PDK1 (0.48) LMNAALDH1A1MAPTKMT2AIDO1
SCHEMBL5885291 0.77 CA2 (0.50) LMNAALDH1A1MAPTIDO1HTT
SCHEMBL5712396 0.76 ALDH1A1 (0.47) LMNAALDH1A1MAPTKMT2AIDO1
SCHEMBL14155105 0.76 TLR8 (0.47) LMNAALDH1A1MAPTKMT2AIDO1
SCHEMBL4815949 0.76 MAPT (0.64) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2

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-7005437-B2 Substituted aryl and heteroaryl derivatives, the preparation thereof and the use therof as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2006-02-28 US disclosed
EP-1404648-A1 AMIDINE SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES WITH AN ANTITHROMBOTIC AND FACTOR XA INHIBITING ACTION Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-04-07 EP disclosed
WO-2003101942-A1 AMIDINE SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES WITH AN ANTITHROMBOTIC AND FACTOR XA INHIBITING ACTION BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-12-11 WO disclosed
US-20030045712-A1 Substituted aryl and heteroaryl derivatives, the preparation thereof and the use therof as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-03-06 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-20030045712-A1 Substituted aryl and heteroaryl derivatives, the preparation thereof and the use therof as pharmaceutical compositions F2, F12, F3 LMNA 947/4885ALDH1A1 956/4885MAPT 3321/4885

“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.