SCHEMBL5620191

SCHEMBL5620191

CN(C)c1cccc(-c2nnc3ccc(Cl)nn23)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRK5 P34947 1/20 0.46
KDM4E B2RXH2 5/20 0.45
HSD17B10 Q99714 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
BRD4 O60885 2/20 0.44
LIN28A Q9H9Z2 1/20 0.44
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
ALOX15 P16050 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTT P42858 1/20 0.42
PIM1 P11309 2/20 0.42
DPP4 P27487 3/20 0.41
DCTPP1 Q9H773 1/20 0.41
ADORA3 P0DMS8 1/20 0.41

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
SCHEMBL29617977 0.84 DPP4 (0.54) KDM4EHSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL24401671 0.84 DPP4 (0.54) KDM4EHSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL32665417 0.81 DYRK3 (0.58) KDM4EHSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL15365501 0.79 KDM4E (0.65) KDM4EHSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL12874554 0.79 DYRK3 (0.60) KDM4EHSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL32665401 0.78 PIM1 (0.62) KDM4EHSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL15365361 0.78 PIM1 (0.62) KDM4EHSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL4784567 0.78 BRD4 (0.65) KDM4EHSD17B10ALDH1A1SMN1; SMN2BRD4
SCHEMBL29555051 0.77 DYRK1A (0.69) DYRK3CCNT1CCNA2CDK2CDK9
SCHEMBL26915251 0.77 DYRK1A (0.69) DYRK3CCNT1CCNA2CDK2CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7173033-B2 Nitrogen-containing heterocyclic compound ASTELLAS PHARMA INC. (JP) 2007-02-06 US disclosed
US-20060173009-A1 Agent inducing increase in bone mass ASTELLAS PHARMA INC. (JP) 2006-08-03 US disclosed
EP-1640010-A1 AGENT INDUCING INCREASE IN BONE MASS Astellas Pharma Inc. (JP) 2006-03-29 EP disclosed
US-20050261297-A1 Nitrogen-containing heterocyclic compound YAMANOUCHI PHARMACEUTICAL CO., LTD 2005-11-24 US disclosed
US-20050096322-A1 Nitrogen-containing heterocyclic compound ASTELLAS PHARMA INC. (JP) 2005-05-05 US disclosed
EP-1481977-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2004-12-01 EP 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 (3 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-20050096322-A1 Nitrogen-containing heterocyclic compound BMP2, BMP1, BMP4 GRK5 489/4885KDM4E 2532/4885HSD17B10 3828/4885
US-20050261297-A1 Nitrogen-containing heterocyclic compound BMP2, BMP1, BMP4 GRK5 489/4885KDM4E 2532/4885HSD17B10 3828/4885
US-20060173009-A1 Agent inducing increase in bone mass SOST, CALCB, BMP4 GRK5 527/4885KDM4E 2584/4885HSD17B10 3567/4885

“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.