SCHEMBL21593384

SCHEMBL21593384

c1cn2ccc(OCCN3CCOCC3)cc2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 1/20 0.54
NPC1 O15118 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
RAB9A P51151 1/20 0.48
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
LTA4H P09960 1/20 0.47
MCHR1 Q99705 1/20 0.47
MAOA P21397 1/20 0.47
FGFR1 P11362 1/20 0.46
SRC P12931 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46

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
SCHEMBL34464673 0.88 LTA4H (0.50) KDM4EALDH1A1LTA4HMCHR1
SCHEMBL29868387 0.85 MEN1 (0.51) KDM4EALDH1A1NPC1MEN1KMT2A
SCHEMBL34464702 0.85 KDM4E (0.40) KDM4EALDH1A1NPC1CYP1A2CYP3A4
SCHEMBL29868825 0.81 HRH3 (0.50) KDM4E
SCHEMBL24760172 0.80 NPC1 (0.53) KDM4EALDH1A1NPC1CYP1A2CYP3A4
SCHEMBL34464691 0.80 KIT (0.40) KDM4EALDH1A1MEN1KMT2ALTA4H
SCHEMBL29868460 0.79 DRD2 (0.42) KDM4EALDH1A1MEN1KMT2AMCHR1
SCHEMBL34464679 0.79 QPCT (0.38) KDM4EMEN1KMT2ALTA4HMCHR1
SCHEMBL29868800 0.79 QPCT (0.36) KDM4EMEN1KMT2ALTA4HMCHR1
SCHEMBL29869095 0.79 QPCT (0.38) KDM4EMEN1KMT2ALTA4HMCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260109697-A1 4-(IMIDAZO[1,2-A]PYRIDIN-3-YL)-PYRIMIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2026-04-23 US claimed
US-12264156-B2 Compounds and pharmaceutical compositions thereof for the treatment of diseases GALAPAGOS NV (BE) 2025-04-01 US disclosed
US-20220402911-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES GALAPAGOS NV (BE) 2022-12-22 US disclosed
US-20220402911-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES GALAPAGOS NV (BE) 2022-12-22 US disclosed
WO-2019238424-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES GALAPAGOS NV (BE) 2019-12-19 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 (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-20260109697-A1 4-(IMIDAZO[1,2-A]PYRIDIN-3-YL)-PYRIMIDINE DERIVATIVES CHUK, CNKSR1, KIT KDM4E 3280/4885ALDH1A1 1459/4885NPC1 1689/4885
US-20220402911-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES IL1A, TNF, IL6 KDM4E 3701/4885ALDH1A1 1156/4885NPC1 2653/4885
US-12264156-B2 Compounds and pharmaceutical compositions thereof for the treatment of diseases TNF, IL1A, COL1A1 KDM4E 3550/4885ALDH1A1 1150/4885NPC1 2662/4885

“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.