SCHEMBL4721101

SCHEMBL4721101

Nc1ncnc(N)c1C#Cc1cccc(NC(=O)Nc2ccccc2N2CCOCC2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 5/20 0.51
POLB P06746 3/20 0.49
SCN9A Q15858 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
KDM4E B2RXH2 2/20 0.45
USP2 O75604 1/20 0.45
KIT P10721 1/20 0.45
PDGFRA P16234 1/20 0.45
KDR P35968 1/20 0.45
ABL1 P00519 1/20 0.44
CSF1R P07333 1/20 0.44
BCR P11274 1/20 0.44
SRC P12931 1/20 0.44
BRAF P15056 1/20 0.44
FLT3 P36888 1/20 0.44

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
SCHEMBL3582962 0.88 BTK (0.43) BTKPOLBALDH1A1KMT2AMEN1
SCHEMBL3573312 0.80 EPHX2 (0.53) SMN1; SMN2KITKDR
SCHEMBL4719226 0.80 KDR (0.58) BTKSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL3580063 0.79 SMN1; SMN2 (0.51) SMN1; SMN2KDR
SCHEMBL3572624 0.79 PIK3CA (0.40) BTKKITKDRABL1BCR
SCHEMBL4719577 0.78 NPC1 (0.52) POLBSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL4718548 0.77 AURKB (0.49) BTKALDH1A1KMT2AMEN1KDM4E
SCHEMBL20911012 0.77 ALDH1A1 (0.64) POLBSCN9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL3578235 0.76 SCN2A (0.45) BTKPOLBALDH1A1KMT2AMEN1
SCHEMBL5251355 0.76 KDR (0.54) BTKALDH1A1KMT2AMEN1KIT

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
EP-1737462-B1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2008-07-30 EP claimed
EP-1737462-B1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2008-07-30 EP disclosed
US-20080027076-A1 Pyrimidines With Tie2 (Tek) Activity ASTRAZENECA AB (SE) 2008-01-31 US disclosed
EP-1737462-A1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY AstraZeneca AB (SE) 2007-01-03 EP disclosed
WO-2005060969-A1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2005-07-07 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-20080027076-A1 Pyrimidines With Tie2 (Tek) Activity TIE1, TEK, TEKT1 BTK 402/4885POLB 405/4885SCN9A 4046/4885

“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.