SCHEMBL3198541

SCHEMBL3198541

CN(C)C(=O)c1ccnc(N)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.61
GABRD O14764 2/20 0.61
GABRA1 P14867 2/20 0.61
GABRB1 P18505 2/20 0.61
GABRG2 P18507 2/20 0.61
GABRB3 P28472 2/20 0.61
GABRA5 P31644 2/20 0.61
GABRA3 P34903 2/20 0.61
GABRA2 P47869 2/20 0.61
GABRB2 P47870 2/20 0.61
GABRA4 P48169 2/20 0.61
GABRE P78334 2/20 0.61
GABRA6 Q16445 2/20 0.61
GABRG1 Q8N1C3 2/20 0.61
GABRG3 Q99928 2/20 0.61
GABRQ Q9UN88 2/20 0.61
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
ATR Q13535 1/20 0.44
NOS3 P29474 3/20 0.44

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
SCHEMBL305494 0.83 GABRP (0.54) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4169682 0.81 GABRP (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8568260 0.79 PSEN1 (0.43) KMT2AKDM4EKDM5AKDM5CKDM5B
SCHEMBL16114833 0.79 KDM5A (0.43) KMT2AKDM4EKDM5AKDM5CKDM5B
SCHEMBL31661275 0.79 GABRP (0.68) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1159738 0.79 GABRP (0.68) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7287379 0.78 KDM5A (0.42) KMT2AKDM4EKDM5AKDM5CKDM5B
SCHEMBL4926597 0.78 TAS1R3 (0.44) KMT2AKDM5AKDM5CKDM5BDDB1
SCHEMBL9363482 0.78 KDM5A (0.42) KMT2AKDM4EKDM5AKDM5CKDM5B
Hydrochloric Acid SCHEMBL6227701 0.77 GABRP (0.66) GABRPGABRDGABRA1GABRB1GABRG2

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
EP-2417120-B1 SUBSTITUTED PIPERIDINES AS CCR3 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2016-10-26 EP disclosed
EP-1904494-B1 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS AS VEGF-R2 INHIBITORS LILLY CO ELI (US) 2010-12-01 EP disclosed
US-7666879-B2 Imidazo[1,2-A]pyridine compounds as VEGF-R2 inhibitors ELI LILLY AND COMPANY (US) 2010-02-23 US disclosed
US-20090227622-A1 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS AS VEGF-R2 INHIBITORS ELI LILLY AND COMPANY 2009-09-10 US disclosed
EP-1904494-A1 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS AS VEGF-R2 INHIBITORS ELI LILLY AND COMPANY (US) 2008-04-02 EP disclosed
WO-2006091671-A1 IMIDAZO (1, 2-A) PYRIDINE COMPOUNDS AS VEGF-R2 INHIBITORS ELI LILLY AND COMPANY (US) 2006-08-31 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-20090227622-A1 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS AS VEGF-R2 INHIBITORS KDR, FLT1, FLT4 GABRP 510/4885GABRD 2791/4885GABRA1 822/4885

“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.