SCHEMBL4721836

SCHEMBL4721836

Cc1cc(NC(=O)Nc2ccc(C#Cc3c(N)ncnc3N)cc2)sn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMARCA2 P51531 1/20 0.54
SMARCA4 P51532 1/20 0.54
HTR2C P28335 2/20 0.49
HTR2A P28223 1/20 0.49
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
PKM P14618 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
THPO P40225 1/20 0.47
HTR2B P41595 1/20 0.47
RECQL P46063 1/20 0.47

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
SCHEMBL4717712 0.88 SMARCA2 (0.54) SMARCA2SMARCA4HTR2CHTR2AMEN1
SCHEMBL4717817 0.78 RAB9A (0.45) MEN1NPC1LMNAMAPTCYP2C19
SCHEMBL4719686 0.78 HTR2C (0.49) HTR2CPKMSMN1; SMN2KDRKIT
SCHEMBL4718517 0.76 ALDH1A1 (0.53) MEN1NPC1TP53MAPTCYP2C19
SCHEMBL4721554 0.72 RAB9A (0.60) MEN1NPC1LMNACYP1A2MAPT
SCHEMBL4719226 0.70 KDR (0.58) MEN1NPC1LMNATP53MAPT
SCHEMBL30955596 0.70 SMARCA2 (1.00) SMARCA2SMARCA4HTR2CHTR2AMEN1
SCHEMBL22125249 0.70 SMARCA2 (1.00) SMARCA2SMARCA4HTR2CHTR2AMEN1
SCHEMBL4719225 0.70 IDH2 (0.48) NPC1TP53RAB9ASMN1; SMN2KDR
SCHEMBL4718055 0.69 KDR (0.61) KDRKITTEKFLT1FLT4

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 SMARCA2 1725/4885SMARCA4 2628/4885HTR2C 3015/4885

“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.