SCHEMBL4301935

SCHEMBL4301935

Cc1cc2nnc(N)n2nc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
ALDH1A1 P00352 7/20 0.33
NPC1 O15118 3/20 0.33
HPGD P15428 3/20 0.33
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
NFKB1 P19838 1/20 0.33
HTT P42858 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
KDM4E B2RXH2 4/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
CYP2C19 P33261 2/20 0.32
CYP1A2 P05177 1/20 0.32
MAPK1 P28482 1/20 0.32
PIK3CG P48736 1/20 0.32
MAPT P10636 3/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL1203899 0.81 MEN1 (0.34) POLBNPC1HPGDRAB9ASMN1; SMN2
Bromide SCHEMBL1204335 0.79 MEN1 (0.33) POLBNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL20385325 0.79 KDM4E (0.42) ALDH1A1HPGDSMN1; SMN2NFKB1HTT
SCHEMBL1204955 0.74 MEN1 (0.37) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL28566349 0.71 PIK3CG (0.38) POLBALDH1A1NPC1HPGDRAB9A
SCHEMBL4296651 0.69 KDM4E (0.60) POLBALDH1A1NPC1HPGDRAB9A
Hydrochloric Acid SCHEMBL28566728 0.69 PIK3CG (0.37) POLBALDH1A1NPC1HPGDRAB9A
Bromide SCHEMBL3811129 0.68 ALDH1A1 (0.31) ALDH1A1
SCHEMBL1189661 0.66 CHEK1 (0.32)
SCHEMBL29361683 0.64 PIM1 (0.42) ALDH1A1NPC1HPGDRAB9ASMN1; 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-8188083-B2 Triazolopyridazines ABBOTT LABORATORIES (US) 2012-05-29 US disclosed
US-20090270402-A1 Novel triazolopyridazines ABBVIE INC. 2009-10-29 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-20090270402-A1 Novel triazolopyridazines MAP3K5, MAP3K1, MAP3K2 POLB 1873/4885ALDH1A1 435/4885NPC1 2195/4885

“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.