SCHEMBL879284

SCHEMBL879284

Cc1nc2ccncc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
PKM P14618 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
KDM4E B2RXH2 3/20 0.50
HPGD P15428 2/20 0.50
AURKA O14965 1/20 0.50
METAP1 P53582 2/20 0.49
METAP2 P50579 1/20 0.49
PDE5A O76074 2/20 0.47
ADORA3 P0DMS8 1/20 0.46
RPS6KA5 O75582 1/20 0.45
HSP90AA1 P07900 1/20 0.43
ESR2 Q92731 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
HPSE Q9Y251 1/20 0.43

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
SCHEMBL2143546 0.83 ALDH1A1 (0.44) ALDH1A1PKMSMN1; SMN2NPC1RAB9A
SCHEMBL1170780 0.78 ALDH1A1 (0.68) ALDH1A1PKMSMN1; SMN2NPC1RAB9A
SCHEMBL14764482 0.77 DAO (0.47) ALDH1A1PKMSMN1; SMN2NPC1RAB9A
SCHEMBL29339069 0.76 NPC1 (0.46) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL34462940 0.75 SMN1; SMN2 (0.50) ALDH1A1PKMSMN1; SMN2NPC1RAB9A
SCHEMBL2106050 0.75 SMN1; SMN2 (0.50) ALDH1A1PKMSMN1; SMN2NPC1RAB9A
SCHEMBL21496798 0.75 ALDH1A1 (0.50) ALDH1A1PKMSMN1; SMN2NPC1RAB9A
SCHEMBL9698797 0.75 ALDH1A1 (0.55) ALDH1A1PKMSMN1; SMN2NPC1RAB9A
SCHEMBL15088513 0.75 SMN1; SMN2 (0.50) ALDH1A1PKMSMN1; SMN2NPC1RAB9A
SCHEMBL7249651 0.75 SMN1; SMN2 (0.50) ALDH1A1PKMSMN1; 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 78 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8039462-B2 Alzheimer's disease, stroke, traumatic brain injury, and depression, neurodegenerative diseases; antidepressants; a phenyl thiourea or urea derivatives; promote cell proliferation of stem or progenitor cells NEURONASCENT, INC. (US) 2011-10-18 US claimed
US-20230234943-A1 TREX1 INHIBITORS AND USES THEREOF TEMPEST THERAPEUTICS, INC. 2023-07-27 US disclosed
EP-3864015-B1 PROCESS FOR THE PREPARATION OF IMIDAZOLE DERIVATEIVES BAYER AG (DE) 2023-05-10 EP disclosed
WO-2020233645-A1 MACROLIDE DERIVATIVES, PREPARATION METHOD AND APPLICATION THEREOF 浙江海正药业股份有限公司 (CN) 2020-11-26 WO disclosed
US-20190263828-A1 HETEROAROMATIC COMPOUNDS AS VANIN INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2019-08-29 US disclosed
US-20170226106-A1 CXCR4 Receptor Antagonists PROXIMAGEN, LLC 2017-08-10 US disclosed
US-20170226106-A1 CXCR4 Receptor Antagonists PROXIMAGEN, LLC 2017-08-10 US disclosed
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. 2017-07-20 US disclosed
US-20170148996-A1 ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC OPTOELECTRONIC DEVICES COMPRISING THE SAME WUHAN TIANMA MICROELECTRONICS CO., LTD.SHANGHAI BRANCH (CN) 2017-05-25 US disclosed
US-20170148996-A1 ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC OPTOELECTRONIC DEVICES COMPRISING THE SAME WUHAN TIANMA MICROELECTRONICS CO., LTD.SHANGHAI BRANCH (CN) 2017-05-25 US disclosed
US-20070203209-A1 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. 2007-08-30 US disclosed
WO-2007070433-A2 2-ARYLTHIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-06-21 WO disclosed
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
WO-2007062342-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 WO disclosed
WO-2007022501-A2 USEFUL INDOLE COMPOUNDS MICROBIA, INC. (US) 2007-02-22 WO disclosed
WO-2006002099-A2 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-01-05 WO disclosed
WO-2004063169-A1 HYDROXAMID ACID DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ASTELLAS PHARMA INC. (JP) 2004-07-29 WO disclosed
US-6610731-B2 Antiinflammatory BRISTOL-MYERS SQUIBB COMPANY 2003-08-26 US disclosed
EP-0842944-B1 Heterocycles as inhibitors of leukocyte adhesion and as antagonists of VLA-4 HOECHST AG (DE) 2003-07-09 EP disclosed
US-6403632-B1 CYCLIC AMIDE DERIVATIVE BRISTOL MYERS SQUIBB PHARMA CO (US) 2002-06-11 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 (7 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-20230234943-A1 TREX1 INHIBITORS AND USES THEREOF FEN1, ERCC4, DCLRE1B ALDH1A1 1451/4885PKM 3542/4885SMN1; SMN2 1598/4885
US-20170226106-A1 CXCR4 Receptor Antagonists CXCR4, CXCR1, CXCR2 ALDH1A1 886/4885PKM 3136/4885SMN1; SMN2 4054/4885
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT ALDH1A1 2151/4885PKM 413/4885SMN1; SMN2 506/4885
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 ALDH1A1 2353/4885PKM 2591/4885SMN1; SMN2 4707/4885
US-20190263828-A1 HETEROAROMATIC COMPOUNDS AS VANIN INHIBITORS VHL, FANCI, UGT2B7 ALDH1A1 583/4885PKM 3125/4885SMN1; SMN2 4499/4885
US-20170148996-A1 ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC OPTOELECTRONIC DEVICES COMPRISING THE SAME OR10J3, PPOX, OR51E2 ALDH1A1 625/4885PKM 753/4885SMN1; SMN2 4625/4885
US-20070203209-A1 Useful indole compounds TPH2, HRH2, HRH1 ALDH1A1 1494/4885PKM 4672/4885SMN1; SMN2 2272/4885

“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.