SCHEMBL5265201

SCHEMBL5265201

CNc1nc(-c2ccccc2)ncc1C(N)=O

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 10/20 0.60
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
ALDH1A1 P00352 4/20 0.48
MAPT P10636 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 1/20 0.48
TP53 P04637 1/20 0.48
RAB9A P51151 1/20 0.48
LMNA P02545 3/20 0.48
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAPK1 P28482 1/20 0.46
ATM Q13315 1/20 0.46
HPGD P15428 1/20 0.46
MAPK8 P45983 1/20 0.43

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
SCHEMBL5914393 0.88 MEN1 (0.55) PDE4BMEN1KMT2AALDH1A1MAPT
SCHEMBL28103573 0.84 PDE4B (0.77) PDE4BMEN1KMT2AALDH1A1LMNA
SCHEMBL28103925 0.81 PDE4B (0.66) PDE4B
SCHEMBL5914410 0.80 ALDH1A1 (0.70) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL28103922 0.79 PDE4B (0.73) PDE4BMEN1KMT2ALMNACYP1A2
SCHEMBL28103913 0.79 PDE4B (0.69) PDE4BMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4560197 0.78 ALDH1A1 (0.63) PDE4BMEN1KMT2AALDH1A1MAPT
Hydrochloric Acid SCHEMBL30227955 0.77 PDE4B (0.51) PDE4BMEN1KMT2AALDH1A1MAPT
SCHEMBL12929707 0.77 ALDH1A1 (0.66) PDE4BMEN1KMT2AALDH1A1MAPT
SCHEMBL5264668 0.76 PDE4B (0.56) PDE4BMEN1KMT2AALDH1A1MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1794135-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2007-06-13 EP disclosed
WO-2006037117-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2006-04-06 WO disclosed
US-20060069110-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2006-03-30 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-20060069110-A1 Substituted heterocyclic compounds and methods of use MAPT, MYLK2, IAPP PDE4B 2694/4885MEN1 438/4885KMT2A 1926/4885

“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.