SCHEMBL549173

SCHEMBL549173

CC(=O)Nc1ccc(CC#N)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.63
TP53 P04637 1/20 0.55
NPC1 O15118 2/20 0.54
HTT P42858 2/20 0.54
MAPT P10636 2/20 0.54
LMNA P02545 1/20 0.54
RAB9A P51151 2/20 0.54
THRB P10828 1/20 0.54
SMN1; SMN2 Q16637 4/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ALDH1A1 P00352 5/20 0.53
MEN1 O00255 3/20 0.53
KDM4E B2RXH2 2/20 0.53
HPGD P15428 1/20 0.53
CYP2C19 P33261 1/20 0.53
TSHR P16473 2/20 0.53
TDP1 Q9NUW8 1/20 0.52
CA12 O43570 1/20 0.52
BRD4 O60885 1/20 0.52
NR1I2 O75469 1/20 0.52

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
SCHEMBL7771746 0.83 TSHR (0.59) KMT2ATP53NPC1HTTMAPT
SCHEMBL11640329 0.83 KMT2A (0.65) KMT2ATP53NPC1HTTMAPT
SCHEMBL10865575 0.83 KMT2A (0.56) KMT2ATP53NPC1HTTMAPT
SCHEMBL18952169 0.82 KMT2A (0.59) KMT2ATP53NPC1HTTMAPT
SCHEMBL4106316 0.82 NPC1 (0.58) KMT2ATP53NPC1HTTMAPT
SCHEMBL5492921 0.81 KMT2A (0.63) KMT2ATP53NPC1HTTMAPT
SCHEMBL16150528 0.81 SMN1; SMN2 (0.53) KMT2ATP53NPC1HTTMAPT
SCHEMBL4122896 0.81 RAB9A (0.61) KMT2ATP53NPC1HTTMAPT
SCHEMBL4119195 0.81 NPC1 (0.61) KMT2ATP53NPC1HTTMAPT
Oxalic Acid SCHEMBL11640635 0.80 KMT2A (0.61) KMT2ATP53NPC1HTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114685505-A Imidazopyrrolopyridines as JAK family kinase inhibitors 詹森药业有限公司 2022-07-01 CN disclosed
CN-110312719-B Imidazopyrrolopyridines as JAK family kinase inhibitors 詹森药业有限公司 2022-04-15 CN disclosed
EP-1606268-B1 5,10-DIHYDRO-11H-DIBENZO[B,E][1,4]DIAZEPIN-11-ONE AS KINASE INHIBITORS ABBVIE INC (US) 2015-05-20 EP disclosed
US-8110588-B2 1,2,3-triazole derivatives useful as modulators of nicotinic acetylcholine receptors NEUROSEARCH A/S (DK) 2012-02-07 US disclosed
US-20110269763-A1 CRTH2 receptor ligands for medicinal uses 7TM PHARMA A/S (DK) 2011-11-03 US disclosed
US-8022063-B2 CRTH2 receptor ligands for medicinal uses 7TM PHARMA A/S (DK) 2011-09-20 US disclosed
EP-2336113-A1 CRTH2 Receptor Ligands for Medical Use 7TM Pharma A/S (DK) 2011-06-22 EP disclosed
CN-1980664-B CRTH2 receptor ligands for therapeutic use 7TM PHARMA AS 2011-02-23 CN disclosed
US-7875645-B2 2-(2-cyclopropyl-benzyl)-4,5-dihydro-1H-imidazole; depression, anxiety disorders, bipolar disorder, attention deficit hyperactivity disorder, stress-related disorders, psychotic disorders such as schizophrenia, neurological diseases such as Parkinson's disease, neurodegenerative disorders HOFFMAN-LA ROCHE INC. (US) 2011-01-25 US disclosed
US-20100222398-A1 NOVEL 1,2,3-TRIAZOLE DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2010-09-02 US disclosed
EP-0804434-A1 AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 1997-11-05 EP disclosed
WO-1996004274-A1 AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1996-02-15 WO disclosed
US-4814346-A Benzopyrans and use thereof in treating vascular diseases ZYMA SA (CH) 1989-03-21 US disclosed
EP-0267155-A2 Bicyclic compounds Zyma SA (CH) 1988-05-11 EP disclosed
US-4512998-A Anthelmintic benzimidazole carbamates SCHERING CORPORATION (US) 1985-04-23 US disclosed
US-4316021-A VIRICIDES ELI LILLY AND COMPANY (US) 1982-02-16 US disclosed
US-4243813-A VIRICIDES ELI LILLY AND COMPANY (US) 1981-01-06 US disclosed
US-4196125-A VIRICIDES ELI LILLY AND COMPANY (US) 1980-04-01 US disclosed
US-4118573-A ANTIVIRAL AGENTS ELI LILLY AND COMPANY (US) 1978-10-03 US disclosed
US-4018790-A VIRICIDES ELI LILLY AND COMPANY (US) 1977-04-19 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 (2 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-20100222398-A1 NOVEL 1,2,3-TRIAZOLE DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS CHRNA3, CHRNB3, CHRNA5 KMT2A 2341/4885TP53 4840/4885NPC1 2998/4885
US-20110269763-A1 CRTH2 receptor ligands for medicinal uses HRH1, HRH2, HRH4 KMT2A 2771/4885TP53 4584/4885NPC1 2431/4885

“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.