SCHEMBL1642906

SCHEMBL1642906

Nc1cnccc1C(=O)c1cccc(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 2/20 0.50
KDM6B O15054 1/20 0.50
KDM4A O75164 1/20 0.50
MAPT P10636 1/20 0.50
THRB P10828 1/20 0.50
KDM4D Q6B0I6 1/20 0.50
KDM4C Q9H3R0 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
PARP1 P09874 1/20 0.47
CDK5 Q00535 2/20 0.47
CDK5R1 Q15078 2/20 0.47
MAPK14 Q16539 5/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
GLA P06280 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL4137818 0.85 CES2 (0.49) KMT2AMEN1PARP1CDK5CDK5R1
SCHEMBL1643775 0.82 POLB (0.51) KMT2AKDM4EALDH1A1MEN1KDM6B
SCHEMBL2079912 0.82 VNN1 (0.51) KMT2AKDM4EALDH1A1MEN1KDM6B
SCHEMBL1643213 0.81 ALDH1A1 (0.65) KMT2AKDM4EALDH1A1MEN1KDM6B
Hydrochloric Acid SCHEMBL16703122 0.80 ALDH1A1 (0.62) KMT2AKDM4EALDH1A1MEN1KDM6B
SCHEMBL4416792 0.80 MAPT (0.65) KMT2AKDM4EALDH1A1MEN1MAPT
SCHEMBL29963651 0.80 MAPT (0.65) KMT2AKDM4EALDH1A1MEN1MAPT
SCHEMBL1643621 0.78 KDM4E (0.51) KMT2AKDM4EALDH1A1MEN1KDM6B
SCHEMBL1643711 0.77 KDM4C (0.73) KMT2AKDM4EALDH1A1MEN1KDM6B
SCHEMBL1642051 0.77 KDM4E (0.50) KMT2AKDM4EALDH1A1MEN1KDM6B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110098298-A1 New Pyridin-3-Amine Derivatives LABORATORIOS ALMIRALL, S.A. (ES) 2011-04-28 US disclosed
EP-1987005-A2 NEW PYRIDIN-3-AMINE DERIVATIVES Laboratorios Almirall, S.A. (ES) 2008-11-05 EP disclosed
WO-2007096072-A2 NEW PYRIDIN-3-AMINE DERIVATIVES LABORATORIOS ALMIRALL, S.A. (ES) 2007-08-30 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-20110098298-A1 New Pyridin-3-Amine Derivatives MAPK1, MAP4K2, MAPK3 KMT2A 2699/4885KDM4E 2470/4885ALDH1A1 3124/4885

“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.