SCHEMBL2057403

SCHEMBL2057403

CN(C)c1ccc(N=Nc2cc[c]cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.63
ALDH1A1 P00352 5/20 0.63
TSHR P16473 4/20 0.63
HSD17B10 Q99714 4/20 0.63
TDP1 Q9NUW8 4/20 0.63
NPC1 O15118 7/20 0.53
KMT2A Q03164 7/20 0.53
RAB9A P51151 6/20 0.53
MEN1 O00255 6/20 0.53
MAPT P10636 3/20 0.53
POLB P06746 2/20 0.53
KDM4E B2RXH2 2/20 0.53
CA12 O43570 2/20 0.52
CA2 P00918 2/20 0.52
CA9 Q16790 2/20 0.52
CASP3 P42574 2/20 0.52
SENP8 Q96LD8 2/20 0.52
SENP7 Q9BQF6 2/20 0.52
SENP6 Q9GZR1 2/20 0.52
NSD2 O96028 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
SCHEMBL7536630 1.00 MAPK1 (0.63) MAPK1ALDH1A1TSHRHSD17B10TDP1
SCHEMBL3217829 0.86 ALDH1A1 (0.81) MAPK1ALDH1A1TSHRHSD17B10TDP1
SCHEMBL1405466 0.86 ALDH1A1 (0.81) MAPK1ALDH1A1TSHRHSD17B10TDP1
SCHEMBL3217836 0.86 ALDH1A1 (0.81) MAPK1ALDH1A1TSHRHSD17B10TDP1
SCHEMBL3217840 0.86 ALDH1A1 (0.81) MAPK1ALDH1A1TSHRHSD17B10TDP1
SCHEMBL1405467 0.86 ALDH1A1 (0.81) MAPK1ALDH1A1TSHRHSD17B10TDP1
SCHEMBL17278970 0.79 ALDH1A1 (0.71) MAPK1ALDH1A1TSHRHSD17B10TDP1
SCHEMBL11341925 0.79 ALDH1A1 (0.71) MAPK1ALDH1A1TSHRHSD17B10TDP1
SCHEMBL11341921 0.79 ALDH1A1 (0.71) MAPK1ALDH1A1TSHRHSD17B10TDP1
SCHEMBL20664 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023140597-A1 PRIMER SET FOR DETECTING CHIKUNGUNYA VIRUS 한국표준과학연구원 2023-07-27 WO disclosed
CN-106794264-B Conjugates comprising neurotensin receptor ligands and uses thereof 3B制药有限公司 2021-03-23 CN disclosed
EP-3420102-A1 METHODS FOR IDENTIFYING AND MODULATING IMMUNE PHENOTYPES Massachusetts Institute of Technology (US) 2019-01-02 EP disclosed
WO-2017147196-A1 METHODS FOR IDENTIFYING AND MODULATING IMMUNE PHENOTYPES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2017-08-31 WO disclosed
US-8709725-B2 Arrays of optical confinements and uses thereof PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2014-04-29 US disclosed
US-8314216-B2 Enzymatic nucleic acid synthesis: compositions and methods for inhibiting pyrophosphorolysis Life Technologies Corporation (US) 2012-11-20 US disclosed
US-8022172-B2 Clostridial toxin substrate comprising fluorphore, lanthanide donor complex and botulin toxin recognition sequence for use in detecting clostridial protease activity ALLERGAN, INC. (US) 2011-09-20 US disclosed
US-7906284-B2 Arrays of optical confinements and uses thereof PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2011-03-15 US disclosed
US-7846722-B2 Luminescence resonance energy transfer (LRET) assays for clostridial toxin activity ALLERGAN, INC. (US) 2010-12-07 US disclosed
US-20080220456-A1 LUMINESCENCE RESONANCE ENERGY TRANSFER (LRET) ASSAYS FOR CLOSTRIDIAL TOXIN ACTIVITY ALLERGAN, INC. 2008-09-11 US disclosed
US-20020192247-A1 Thermochromic/photochromic cosmetic compositions THEISEN LYLE (US) 2002-12-19 US disclosed
US-20020013351-A1 Compounds possessing neuronal activity VERTEX PHARMACEUTICALS INCORPORATED 2002-01-31 US disclosed
WO-2001064238-A2 METHODS AND COMPOSITIONS FOR REGULATING ADIPOCYTES CURIS, INC. (US) 2001-09-07 WO disclosed
US-6268384-B1 DO NOT BIND TO FKBP, AND WHICH DO NOT HAVE MULTI-DRUG RESISTANCE REVERSAL ACTIVITY. VERTEX PHARMACEUTICALS INCORPORATED 2001-07-31 US disclosed
EP-1100971-A1 WAVELENGTH-SHIFTING PROBES AND PRIMERS THE PUBLIC HEALTH RESEARCH INSTITUTE OF THE CITY OF NEW YORK, INC. (US) 2001-05-23 EP disclosed
WO-2000006778-A1 WAVELENGTH-SHIFTING PROBES AND PRIMERS THE PUBLIC HEALTH RESEARCH INSTITUTE OF THE CITY OF NEW YORK, INC. (US) 2000-02-10 WO disclosed
US-6013649-A BOND DISORDERS; AUTOIMMUNE DISEASES; ANTITUMOR AGENTS MONSANTO COMPANY (US) 2000-01-11 US disclosed
EP-0620822-A4 HYBRIDIZATION OF POLYNUCLEOTIDES CONJUGATED WITH CHROMOPHORES AND FLUOROPHORES TO GENERATE DONOR-TO-DONOR ENERGY TRANSFER SYSTEM. NANOTRONICS INC (US) 1996-01-10 EP disclosed
EP-0620822-A1 HYBRIDIZATION OF POLYNUCLEOTIDES CONJUGATED WITH CHROMOPHORES AND FLUOROPHORES TO GENERATE DONOR-TO-DONOR ENERGY TRANSFER SYSTEM NANOTRONICS, INC. (US) 1994-10-26 EP disclosed
WO-1993009128-A1 HYBRIDIZATION OF POLYNUCLEOTIDES CONJUGATED WITH CHROMOPHORES AND FLUOROPHORES TO GENERATE DONOR-TO-DONOR ENERGY TRANSFER SYSTEM NANOTRONICS, INC. (US) 1993-05-13 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 (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-20020013351-A1 Compounds possessing neuronal activity BDNF, NGF, GAP43 MAPK1 1052/4885ALDH1A1 1818/4885TSHR 4059/4885
US-20080220456-A1 LUMINESCENCE RESONANCE ENERGY TRANSFER (LRET) ASSAYS FOR CLOSTRIDIAL TOXIN ACTIVITY LCT, LRBA, LTA MAPK1 4611/4885ALDH1A1 4793/4885TSHR 683/4885

“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.