SCHEMBL4098957

SCHEMBL4098957

Cc1ccc2c(N3C[C@@H]4C[C@H]3CN4)nn(-c3ccnc(NCc4ccccc4)c3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KHK P50053 1/20 0.46
NOS2 P35228 1/20 0.44
MAOB P27338 1/20 0.38
HTR6 P50406 1/20 0.38
CHRNB2 P17787 5/20 0.37
CHRNA4 P43681 5/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPK14 Q16539 1/20 0.35
POLB P06746 1/20 0.34
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
BRAF P15056 1/20 0.34

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
SCHEMBL4089257 0.91 KHK (0.42) KHKNOS2MAOBHTR6CHRNB2
SCHEMBL4090285 0.91 KHK (0.42) KHKNOS2MAOBHTR6CHRNB2
SCHEMBL4099608 0.90 MAOB (0.42) KHKNOS2MAOBHTR6CHRNB2
SCHEMBL4089781 0.90 MAOB (0.42) KHKNOS2MAOBHTR6CHRNB2
SCHEMBL4089789 0.88 HRH4 (0.42) KHKNOS2MAOBHTR6CHRNB2
SCHEMBL4089032 0.85 PLK1 (0.49) KHKCHRNB2CHRNA4
SCHEMBL5981840 0.82 MKNK1 (0.42) KHKMAOBHTR6CHRNB2CHRNA4
SCHEMBL4091386 0.82 HRH4 (0.40) KHKNOS2MAOBHTR6CHRNB2
SCHEMBL4094561 0.81 KHK (0.38) KHKMAOBHTR6CHRNB2CHRNA4
SCHEMBL4094443 0.78 MAPK14 (0.39) NOS2MAPK14CCNT1CDK9BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582631-B2 Paget's disease; muscular disorders; cardiovascular disorders; antiinflamamtory agents; antidiabetic agents; autoimmune disease; leukemia AMGEN INC. (US) 2009-09-01 US claimed
US-7582631-B2 Paget's disease; muscular disorders; cardiovascular disorders; antiinflamamtory agents; antidiabetic agents; autoimmune disease; leukemia AMGEN INC. (US) 2009-09-01 US disclosed
US-20090149468-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-06-11 US disclosed
US-20050182072-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-08-18 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 (2 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-20090149468-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 KHK 2675/4885NOS2 1022/4885MAOB 3290/4885
US-20050182072-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 KHK 2674/4885NOS2 937/4885MAOB 3133/4885

“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.