SCHEMBL323144

SCHEMBL323144

CC1=C[N]c2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
MAPK1 P28482 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
MEN1 O00255 1/20 0.32
PLIN1 O60240 1/20 0.32
NR1I2 O75469 1/20 0.32
USP2 O75604 1/20 0.32
GSR P00390 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HSPD1 P10809 1/20 0.32

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
SCHEMBL2159745 0.70 IDO1 (0.33) SMN1; SMN2ALDH1A1HPGDNPC1RAB9A
SCHEMBL3096746 0.70 APAF1 (0.33) SMN1; SMN2MAPK1ALDH1A1HPGDNPC1
SCHEMBL816040 0.70 ALDH1A1 (0.31) ALDH1A1NPC1RAB9AMEN1MAPT
SCHEMBL15157006 0.65 L3MBTL1 (0.35) CYP2D6SMN1; SMN2ALDH1A1NPC1MEN1
SCHEMBL5737227 0.65 MEN1 (0.33) ALDH1A1MEN1LMNABLMKMT2A
SCHEMBL1091565 0.65 GPR84 (0.35) LMNATSHR
SCHEMBL8078829 0.64 ALDH1A1 (0.36) SMN1; SMN2ALDH1A1LMNAMAPTTSHR
SCHEMBL7778902 0.64 ALDH1A1 (0.41) SMN1; SMN2MAPK1ALDH1A1HPGDNPC1
SCHEMBL20585044 0.64 MAPT (0.43) SMN1; SMN2MAPK1ALDH1A1HPGDNPC1
SCHEMBL30565769 0.63

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114181150-A Pyrazole amide derivative, preparation method and application thereof 沈阳万菱生物技术有限公司 2022-03-15 CN claimed
US-20160331725-A1 USE OF COMPOUNDS THAT ARE ABLE TO INCREASE THE SERUM IGF-1 LEVEL FOR THE PREPARATION OF A THERAPEUTICAL COMPOSITION FOR TREATMENT OF VARIOUS DISEASE STATES ASSOCIATED WITH A REDUCED IGF-1 SERUM LEVEL IN HUMANS AND ANIMALS VEIJLEN N.V. 2016-11-17 US claimed
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-20080194553-A1 compounds that are capable of increasing the serum level of insulin-like growth factor 1 (IGF-1) for the preparation of a therapeutical composition,in the form of a food supplement, for the treatment of subjects suffering from serious fatigue and exhausting symptoms, burn-out and chronic fatigue syndrome VEIJLEN N.V. (NL) 2008-08-14 US claimed
US-20070259925-A1 DPP IV INHIBITORS BOEHRINGER MARKUS 2007-11-08 US claimed
EP-1670444-A2 USE OF INDOLEACETIC ACID DERIVATIVES WHICH INCREASE THE SERUM IGF-1 LEVEL FOR THE PREPARATION OF A THERAPEUTICAL COMPOSITION FOR TREATMENT OF VARIOUS DISEASES Veijlen N.V. (AN) 2006-06-21 EP claimed
WO-2005039546-A2 USE OF INDOLEACETIC ACID DERIVATIVES WHICH INCREASE THE SERUM IGF-1 LEVEL FOR THE PREPARATION OF A THERAPEUTICAL COMPOSITION FOR TREATMENT OF VARIOUS DISEASES VEIJLEN N.V. (AN) 2005-05-06 WO claimed
US-20050096348-A1 DPP IV inhibitors BOEHRINGER MARKUS (CH) 2005-05-05 US claimed
US-20030130281-A1 DPP IV inhibitors HOFFMAN-LA ROCHE INC. 2003-07-10 US claimed
US-5654298-A QUARTERNARY SALTS OF 4-AMINO-SUBSTITUTED PYRIDINES; MODULATORS OF THE SINOATRIAL NODE; CARDIOTONIC AND BRADYCARDIA AGENTS; IMPERIAL CHEMICAL INDUSTRIES (GB) 1997-08-05 US claimed
EP-0431856-B1 Heterocyclic compounds ZENECA LTD (GB) 1995-07-12 EP claimed
EP-0422178-B1 PYRIMIDINE DERIVATIVES ZENECA LTD (GB) 1994-10-05 EP claimed
US-5332737-A Cardiovascular disorders IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-07-26 US claimed
EP-0453197-B1 Amine derivatives ICI PLC (GB) 1994-06-15 EP claimed
US-5223505-A PYRIMIDINE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-06-29 US claimed
EP-0453197-A1 Amine derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-10-23 EP claimed
EP-0431856-A2 Heterocyclic compounds ZENECA LIMITED (GB) 1991-06-12 EP claimed
EP-0422178-A1 PYRIMIDINE DERIVATIVES. ICI PLC (GB) 1991-04-17 EP claimed
WO-1990012790-A1 PYRIMIDINE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-11-01 WO claimed

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-20070259925-A1 DPP IV INHIBITORS DPP4, DPP3, DPP7 CYP1A2 555/4885CYP2D6 148/4885SMN1; SMN2 2529/4885
US-20030130281-A1 DPP IV inhibitors DPP4, DPP3, DPP7 CYP1A2 655/4885CYP2D6 271/4885SMN1; SMN2 1935/4885
US-20050096348-A1 DPP IV inhibitors DPP4, DPP3, DPP7 CYP1A2 555/4885CYP2D6 148/4885SMN1; SMN2 2529/4885

“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.