SCHEMBL4099608

SCHEMBL4099608

c1ccc(CNc2cc(-n3nc(N4C[C@@H]5C[C@H]4CN5)c4ccccc43)ccn2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.42
HTR6 P50406 1/20 0.42
KHK P50053 1/20 0.41
NOS2 P35228 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
CHRNB2 P17787 8/20 0.36
CHRNA4 P43681 8/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
BRAF P15056 1/20 0.36
CDC7 O00311 1/20 0.35
PLK4 O00444 1/20 0.35
CHEK1 O14757 1/20 0.35
JAK2 O60674 1/20 0.35
ROCK2 O75116 1/20 0.35
EGFR P00533 1/20 0.35
INSR P06213 1/20 0.35
CSF1R P07333 1/20 0.35
RET P07949 1/20 0.35
MET P08581 1/20 0.35

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
SCHEMBL4089781 1.00 MAOB (0.42) MAOBHTR6KHKNOS2HRH4
SCHEMBL5981840 0.92 MKNK1 (0.42) MAOBHTR6KHKHRH4CHRNB2
SCHEMBL4090285 0.91 KHK (0.42) MAOBHTR6KHKNOS2CHRNB2
SCHEMBL4089257 0.91 KHK (0.42) MAOBHTR6KHKNOS2CHRNB2
SCHEMBL4098957 0.90 KHK (0.46) MAOBHTR6KHKNOS2CHRNB2
SCHEMBL4094561 0.90 KHK (0.38) MAOBHTR6KHKHRH4CHRNB2
SCHEMBL4089789 0.88 HRH4 (0.42) MAOBHTR6KHKNOS2HRH4
SCHEMBL4091386 0.88 HRH4 (0.40) MAOBHTR6KHKNOS2HRH4
SCHEMBL4084195 0.87 KHK (0.42) MAOBHTR6KHKHRH4CHRNB2
SCHEMBL4095076 0.84 NOS2 (0.40) NOS2HRH4BRAFCDC7PLK4

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 5 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-20050182072-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-08-18 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 MAOB 3290/4885HTR6 1324/4885KHK 2675/4885
US-20050182072-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 MAOB 3133/4885HTR6 1154/4885KHK 2674/4885

“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.