SCHEMBL4091386

SCHEMBL4091386

Clc1cccc2c1c(N1C[C@@H]3C[C@H]1CN3)nn2-c1ccnc(NCc2ccccc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.40
MAOB P27338 1/20 0.40
HTR6 P50406 1/20 0.40
CHRNB2 P17787 5/20 0.39
CHRNA4 P43681 5/20 0.39
KHK P50053 1/20 0.37
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
NOS2 P35228 1/20 0.36
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
MAPK1 P28482 2/20 0.35
CYP2C19 P33261 2/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL4099608 0.88 MAOB (0.42) HRH4MAOBHTR6CHRNB2CHRNA4
SCHEMBL4089781 0.88 MAOB (0.42) HRH4MAOBHTR6CHRNB2CHRNA4
SCHEMBL4091264 0.84 PLK1 (0.42) HRH4CHRNB2CHRNA4KHK
SCHEMBL4096085 0.83 KDM5A (0.35) CCNT1CDK9NOS2MAPK11MAPK14
SCHEMBL4089257 0.83 KHK (0.42) MAOBHTR6CHRNB2CHRNA4KHK
SCHEMBL4090285 0.83 KHK (0.42) MAOBHTR6CHRNB2CHRNA4KHK
SCHEMBL4098957 0.82 KHK (0.46) MAOBHTR6CHRNB2CHRNA4KHK
SCHEMBL4089789 0.80 HRH4 (0.42) HRH4MAOBHTR6CHRNB2CHRNA4
SCHEMBL5981840 0.80 MKNK1 (0.42) HRH4MAOBHTR6CHRNB2CHRNA4
SCHEMBL6531195 0.79 MAPK8 (0.43) CCNT1CDK9

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 HRH4 738/4885MAOB 3290/4885HTR6 1324/4885
US-20050182072-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 HRH4 790/4885MAOB 3133/4885HTR6 1154/4885

“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.