SCHEMBL3398552

SCHEMBL3398552

CCCOc1ccc(-c2ccnc(Cl)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 5/20 0.51
MAPT P10636 7/20 0.51
SMN1; SMN2 Q16637 6/20 0.51
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
GAA P10253 2/20 0.49
CYP19A1 P11511 4/20 0.49
CYP2C9 P11712 3/20 0.49
CYP2C19 P33261 3/20 0.49
CYP1A2 P05177 3/20 0.49
ALDH1A1 P00352 5/20 0.48
RAB9A P51151 7/20 0.47
KDM4E B2RXH2 5/20 0.47
NPC1 O15118 5/20 0.47
PKM P14618 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
DHODH Q02127 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
SCHEMBL1466711 0.94 MAPT (0.47) CYP2D6MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL25002934 0.94 CYP2D6 (0.59) CYP2D6MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL3394519 0.87 MAPT (0.49) CYP2D6MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL1467418 0.82 MAPT (0.44) CYP2D6MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL212750 0.80 NPC1 (0.61) CYP2D6MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL3394323 0.79 CYP19A1 (0.53) CYP2D6MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL31086460 0.76 PRMT5 (0.53) MAPTSMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL29254767 0.76 PRMT5 (0.53) MAPTSMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL23365219 0.76 CYP2D6 (0.50) CYP2D6MAPTSMN1; SMN2L3MBTL1CYP19A1
SCHEMBL25002907 0.75 PLA2G2A (0.54) CYP2D6MAPTSMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023010192-A1 N-ACYLHYDRAZONE COMPOUNDS CAPABLE OF INHIBITING NAV1.7 AND/OR NAV1.8, PROCESSES FOR THE PREPARATION THEREOF, COMPOSITIONS, USES, METHODS FOR TREATMENT USING SAME, AND KITS EUROFARMA LABORATÓRIOS S.A. (BR) 2023-02-09 WO disclosed
US-8268822-B2 2-(amino-substituted)-4-aryl pyrimidines and related compounds useful for treating inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-09-18 US disclosed
US-7732444-B2 2-(amino-substituted)-4-aryl pyrimidines and related compounds useful for treating inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-06-08 US disclosed
EP-2123647-A1 2-(amino-substituted)-4-phenyl pyrimidines useful for treating inflammatory diseases Millennium Pharmaceuticals, Inc. (US) 2009-11-25 EP disclosed
EP-1701944-B1 2-(AMINO-SUBSTITUTED)-4-ARYL PYRAMIDINES AND RELATED COMPOUNDS USEFUL FOR TREATING INFLAMMATORY DISEASES MILLENNIUM PHARM INC (US) 2009-07-29 EP disclosed
EP-1701944-A2 2-(AMINO-SUBSTITUTED)-4-ARYL PYRAMIDINES AND RELATED COMPOUNDS USEFUL FOR TREATING INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-09-20 EP disclosed
US-20060040968-A1 2-(Amino-substituted)-4-aryl pyrimidines and related compounds useful for treating inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2006-02-23 US disclosed
WO-2005066139-A2 2-(AMINO-SUBSTITUTED)-4-ARYL PYRAMIDINES AND RELATED COMPOUNDS USEFUL FOR TREATING INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-07-21 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-20060040968-A1 2-(Amino-substituted)-4-aryl pyrimidines and related compounds useful for treating inflammatory diseases PRKCZ, PRKCQ, PRKCE CYP2D6 2087/4885MAPT 2386/4885SMN1; SMN2 3964/4885

“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.