SCHEMBL357427

SCHEMBL357427

[c]1nc(-c2ccncc2)no1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 6/20 0.40
NPC1 O15118 11/20 0.40
RAB9A P51151 11/20 0.40
NPSR1 Q6W5P4 2/20 0.40
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 1/20 0.37
TP53 P04637 2/20 0.37
PKM P14618 1/20 0.37
TSHR P16473 3/20 0.36
HTT P42858 2/20 0.36
ALDH1A1 P00352 1/20 0.36
NOTUM Q6P988 1/20 0.36
CYP19A1 P11511 1/20 0.35

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
SCHEMBL345759 0.77 NOTUM (0.44) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL27608337 0.77 MEN1 (0.48) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL27759118 0.77 MEN1 (0.42) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL2207084 0.77 NPC1 (0.42) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL1435746 0.76 ALDH1A1 (0.53) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL3618137 0.75 CYP2A6 (0.39) CYP3A4CYP2C9CYP2C19
SCHEMBL1435769 0.74 IDO1 (0.42) CYP19A1S1PR1
SCHEMBL5548169 0.72 NOTUM (0.41) GAAALDH1A1NOTUMCYP19A1
SCHEMBL27608333 0.72 TP53 (0.43) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL5965223 0.69 NPC1 (0.42) MAPTLMNASMN1; SMN2NPC1RAB9A

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 112 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1441719-B1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS HOFFMANN LA ROCHE (CH) 2011-03-30 EP claimed
US-7803819-B2 DPP IV inhibitors HOFFMANN-LA ROCHE INC. (US) 2010-09-28 US claimed
US-20070276019-A1 Haloalkyl Containing Compounds as Cysteine Protease Inhibitors AXYS PHARMACEUTICALS, INC. (US) 2007-11-29 US claimed
US-20070259925-A1 DPP IV INHIBITORS BOEHRINGER MARKUS 2007-11-08 US claimed
US-7101880-B2 Peptidic compounds as cysteine protease inhibitors SCHERING AKTIENGESELLSCHAFT (DE) 2006-09-05 US claimed
EP-1664003-A1 HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2006-06-07 EP claimed
US-20050096348-A1 DPP IV inhibitors BOEHRINGER MARKUS (CH) 2005-05-05 US claimed
WO-2005028454-A1 HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2005-03-31 WO claimed
EP-1441719-A1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-08-04 EP claimed
US-20040127426-A1 Peptidic compounds as cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. 2004-07-01 US claimed
WO-2004000838-A1 PEPTIDIC COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2003-12-31 WO claimed
US-20030130281-A1 DPP IV inhibitors HOFFMAN-LA ROCHE INC. 2003-07-10 US claimed
WO-2003037327-A1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS F. HOFFMANN-LA-ROCHE AG (CH) 2003-05-08 WO claimed
CN-109153665-B Novel 2-substituted indazoles, method for the production thereof, pharmaceutical preparations containing the same and use thereof for producing medicaments 拜耳医药股份有限公司 2021-10-15 CN disclosed
EP-3423446-B1 NEW 2-SUBSTITUTED INDAZOLES, METHODS FOR PRODUCING SAME, PHARMACEUTICAL PREPARATIONS THAT CONTAIN SAME, AND USE OF SAME TO PRODUCE DRUGS Bayer Pharma AG (DE) 2020-09-16 EP disclosed
US-10435396-B2 2-substituted indazoles, methods for producing same, pharmaceutical preparations that contain same, and use of same to produce drugs BAYER PHARMA AKTIEGESELLSCHAFT (DE) 2019-10-08 US disclosed
US-20040127426-A1 Peptidic compounds as cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. 2004-07-01 US disclosed
WO-2004000838-A1 PEPTIDIC COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2003-12-31 WO disclosed
US-20030130281-A1 DPP IV inhibitors HOFFMAN-LA ROCHE INC. 2003-07-10 US disclosed
WO-2003037327-A1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS F. HOFFMANN-LA-ROCHE AG (CH) 2003-05-08 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 (6 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-10435396-B2 2-substituted indazoles, methods for producing same, pharmaceutical preparations that contain same, and use of same to produce drugs CYP11B2, CYP19A1, CYP11B1 MAPT 1637/4885LMNA 1889/4885SMN1; SMN2 1744/4885
US-20070259925-A1 DPP IV INHIBITORS DPP4, DPP3, DPP7 MAPT 3608/4885LMNA 4657/4885SMN1; SMN2 2529/4885
US-20030130281-A1 DPP IV inhibitors DPP4, DPP3, DPP7 MAPT 4020/4885LMNA 4737/4885SMN1; SMN2 1935/4885
US-20040127426-A1 Peptidic compounds as cysteine protease inhibitors CTSF, CTSB, CTSS MAPT 2413/4885LMNA 1983/4885SMN1; SMN2 4604/4885
US-20050096348-A1 DPP IV inhibitors DPP4, DPP3, DPP7 MAPT 3608/4885LMNA 4657/4885SMN1; SMN2 2529/4885
US-20070276019-A1 Haloalkyl Containing Compounds as Cysteine Protease Inhibitors CTSF, CTSS, CTSE MAPT 3153/4885LMNA 2126/4885SMN1; SMN2 4865/4885

“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.