SCHEMBL11971099

SCHEMBL11971099

Cc1nc(-c2cnn(C)c2Br)cn1NC(=O)O

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
BRD4 O60885 2/20 0.33
H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 P62805 2/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL11971165 0.80 BRD4 (0.33) BRD4H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16
SCHEMBL11971209 0.76 KDM4E (0.36) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL11971380 0.73 CHEK1 (0.47) MAPT
SCHEMBL11971168 0.68
SCHEMBL27945625 0.66 PRMT5 (0.39)
SCHEMBL27243496 0.66 MAPK1 (0.38) KDM4EALDH1A1SMN1; SMN2RXFP1
SCHEMBL826742 0.60 SMN1; SMN2 (0.41) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL16110414 0.59 RAB9A (0.46) KDM4EALDH1A1BRD4NPC1RAB9A
SCHEMBL11971219 0.59 PDE2A (0.43) BRD4H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16
SCHEMBL16572422 0.57 PDE10A (0.37) KDM4EALDH1A1NPC1RAB9ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8598155-B2 Imidazo[5,1-f][1,2,4]triazines for the treatment of neurological disorders PFIZER INC. (US) 2013-12-03 US disclosed
US-20120214791-A1 Imidazo[5,1-f][1,2,4]Triazines for the Treatment of Neurological Disorders PFIZER INC. 2012-08-23 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-20120214791-A1 Imidazo[5,1-f][1,2,4]Triazines for the Treatment of Neurological Disorders GRIK5, GRIN2C, BDNF KDM4E 3588/4885ALDH1A1 545/4885BRD4 2289/4885

“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.