SCHEMBL29635627

SCHEMBL29635627

c1ccc(-n2cccn2)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 2/20 0.50
ACVR1B P36896 1/20 0.47
TGFBR1 P36897 1/20 0.47
NPC1 O15118 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GLA P06280 1/20 0.46
RAB9A P51151 1/20 0.46
ALKBH2 Q6NS38 1/20 0.46
EGLN1 Q9GZT9 1/20 0.46
KMT2A Q03164 2/20 0.45
MAPK1 P28482 1/20 0.44
NOTUM Q6P988 1/20 0.44
KDM6B O15054 1/20 0.43
PLD1 Q13393 1/20 0.41
ADORA2A P29274 1/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 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
SCHEMBL173802 1.00 KDM4E (0.50) KDM4EALDH1A1LMNAACVR1BTGFBR1
Hydrochloric Acid SCHEMBL28859111 0.98 LMNA (0.49) KDM4EALDH1A1LMNAACVR1BTGFBR1
SCHEMBL27930525 0.98 LMNA (0.49) KDM4EALDH1A1LMNAACVR1BTGFBR1
SCHEMBL29616282 0.98 LMNA (0.49) KDM4EALDH1A1LMNAACVR1BTGFBR1
SCHEMBL15363768 0.98 LMNA (0.49) KDM4EALDH1A1LMNAACVR1BTGFBR1
SCHEMBL30369156 0.98 LMNA (0.49) KDM4EALDH1A1LMNAACVR1BTGFBR1
Formamide SCHEMBL2884584 0.89 LMNA (0.46) KDM4EALDH1A1LMNAACVR1BTGFBR1
SCHEMBL14182361 0.82 LMNA (0.46) KDM4EALDH1A1LMNANPC1SMN1; SMN2
SCHEMBL14763468 0.80 KDM4E (0.55) KDM4EALDH1A1LMNAACVR1BTGFBR1
SCHEMBL29959884 0.80 KDM4E (0.55) KDM4EALDH1A1LMNAACVR1BTGFBR1

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
EP-4329889-A1 IL4I1 INHIBITORS AND METHODS OF USE Merck Sharp & Dohme LLC (US) 2024-03-06 EP disclosed
WO-2022232333-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2022-11-03 WO disclosed
US-11279687-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. (US) 2022-03-22 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 (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-11279687-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNT, NQO1 KDM4E 813/4885ALDH1A1 511/4885LMNA 419/4885

“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.