SCHEMBL4485144

SCHEMBL4485144

O=c1cc(-c2ccccc2)nc2n1CC(O)CN2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
RAB9A P51151 4/20 0.40
TP53 P04637 3/20 0.40
NPC1 O15118 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CGAS Q8N884 3/20 0.40
MAPT P10636 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
KDM4E B2RXH2 4/20 0.39
HPGD P15428 2/20 0.39
RAD51 Q06609 1/20 0.39
CDK5 Q00535 2/20 0.39
CDK5R1 Q15078 2/20 0.39
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
POLB P06746 2/20 0.37

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
SCHEMBL4869648 0.90 KDM5B (0.42) KDM5BGSK3B
SCHEMBL4490026 0.76 ALDH1A1 (0.37) ALDH1A1RAB9ATP53NPC1SMN1; SMN2
SCHEMBL6493490 0.74 ALDH1A1 (0.55) ALDH1A1RAB9ATP53NPC1SMN1; SMN2
SCHEMBL4869674 0.74 GSK3B (0.46) KDM5BGSK3B
SCHEMBL4000370 0.65 CDC7 (0.51) ALDH1A1KDM5BKDM4EHPGDGSK3B
SCHEMBL11665619 0.62 ALDH1A1 (0.49) ALDH1A1RAB9ATP53NPC1SMN1; SMN2
SCHEMBL10429682 0.62 KMT2A (0.52) ALDH1A1RAB9ATP53NPC1SMN1; SMN2
SCHEMBL23869334 0.62 MEN1 (0.80) ALDH1A1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL58442 0.61 MEN1 (1.00) ALDH1A1RAB9ATP53SMN1; SMN2MEN1
SCHEMBL3742049 0.60 MEN1 (0.76) ALDH1A1RAB9ASMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7504403-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-03-17 US disclosed
US-7504403-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-03-17 US disclosed
US-7504403-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-03-17 US disclosed
EP-1716150-B1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2008-04-23 EP disclosed
EP-1716150-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2006-11-02 EP disclosed
US-20050187223-A1 Substituted heterocyclic compounds and methods of use AMGEN, INC. 2005-08-25 US disclosed
WO-2005070932-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2005-08-04 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-20050187223-A1 Substituted heterocyclic compounds and methods of use MYLK2, MUSK, MAPT ALDH1A1 2475/4885RAB9A 1832/4885TP53 841/4885

“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.