SCHEMBL4129863

SCHEMBL4129863

Nc1cc(-c2nnn[nH]2)ccc1NC1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
GAA P10253 1/20 0.46
ALOX15 P16050 2/20 0.42
AURKB Q96GD4 2/20 0.40
CHEK1 O14757 1/20 0.40
NTRK1 P04629 1/20 0.40
MET P08581 1/20 0.40
PIM1 P11309 1/20 0.40
LTK P29376 1/20 0.40
GRK5 P34947 1/20 0.40
MAP2K2 P36507 1/20 0.40
CDK8 P49336 1/20 0.40
NEK2 P51955 1/20 0.40
LIMK1 P53667 1/20 0.40
TYRO3 Q06418 1/20 0.40
MAP4K2 Q12851 1/20 0.40
DYRK1A Q13627 1/20 0.40
AURKA O14965 1/20 0.34
PDPK1 O15530 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
SCHEMBL4124837 0.80 HCAR3 (0.52) MAPTMEN1ALDH1A1MAPK1KMT2A
SCHEMBL26231459 0.76 PRKCI (0.38) KDM4EMAPTALDH1A1
SCHEMBL8609359 0.71 MAPT (0.62) KDM4EMAPTGAAALOX15AURKB
Hydrochloric Acid SCHEMBL16176998 0.71 TDP1 (0.46) KDM4EMAPTGAAALOX15MEN1
SCHEMBL22043535 0.69 KDM4E (0.46) KDM4EMAPTGAAALOX15AURKB
SCHEMBL23176976 0.68 MAPT (0.59) KDM4EMAPTGAAALOX15AURKB
SCHEMBL3792292 0.68 KDM4E (0.59) KDM4EMAPTGAAALOX15AURKB
SCHEMBL4083350 0.68 TSHR (0.39) KDM4EMAPTGAANTRK1MEN1
SCHEMBL10145320 0.68 HSD17B10 (0.53) MAPTMEN1KMT2AHSD17B10TDP1
SCHEMBL14051378 0.68 MAPT (0.59) KDM4EMAPTGAAALOX15AURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7511145-B2 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. (US) 2009-03-31 US disclosed
US-7511145-B2 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. (US) 2009-03-31 US disclosed
US-7511145-B2 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. (US) 2009-03-31 US disclosed
US-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES GENELABS TECHNOLOGIES, INC. 2009-03-26 US disclosed
US-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES GENELABS TECHNOLOGIES, INC. 2009-03-26 US disclosed
US-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES GENELABS TECHNOLOGIES, INC. 2009-03-26 US disclosed
US-20050187390-A1 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. 2005-08-25 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-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES HAVCR2, MAVS, ZC3HAV1 KDM4E 2491/4885MAPT 2748/4885GAA 1157/4885
US-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 KDM4E 2491/4885MAPT 2748/4885GAA 1157/4885

“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.