SCHEMBL4037525

SCHEMBL4037525

c1ccc(Nc2cccnc2)nc1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.61
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
MAPK10 P53779 1/20 0.53
GFER P55789 1/20 0.53
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.51
ATG4B Q9Y4P1 1/20 0.50
TP53 P04637 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
RAD52 P43351 1/20 0.49
KDR P35968 4/20 0.47
KDM4E B2RXH2 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL29826892 0.82 TSHR (0.46) TSHRKMT2AMEN1NPC1RAB9A
SCHEMBL18725641 0.82 TSHR (0.46) TSHRKMT2AMEN1NPC1RAB9A
Ethoxycarbonyl Group SCHEMBL27710458 0.82 TSHR (0.48) TSHRKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL29582475 0.81 MEN1 (0.64) KMT2AMEN1MAPK10GFERNPC1
SCHEMBL626575 0.81 MEN1 (0.64) KMT2AMEN1MAPK10GFERNPC1
SCHEMBL16897029 0.80 MAPK10 (0.55) TSHRKMT2AMEN1MAPK10NPC1
SCHEMBL31138002 0.79 MEN1 (0.61) KMT2AMEN1MAPK10GFERNPC1
SCHEMBL3950825 0.79 NPC1 (0.51) TSHRKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL29618407 0.79 NPC1 (0.51) TSHRKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL3697322 0.79 KDR (0.45) KMT2ANPC1RAB9AMAPTRAD52

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108373416-B Method for synthesizing diarylamine by photo/nickel concerted catalysis 陕西师范大学 2020-11-17 CN disclosed
CN-109715612-A SOMATOSTATIN MODULATORS AND USES THEREOF 克林提克斯医药股份有限公司 2019-05-03 CN disclosed
EP-2391605-B1 SCRIPTAID ISOSTERES AND THEIR USE IN THERAPY KARUS THERAPEUTICS LTD (GB) 2017-11-08 EP disclosed
US-9340503-B2 Scriptaid isosteres and their use in therapy KARUS THERAPEUTICS, LIMITED (GB) 2016-05-17 US disclosed
US-9340503-B2 Scriptaid isosteres and their use in therapy KARUS THERAPEUTICS, LIMITED (GB) 2016-05-17 US disclosed
US-9060515-B2 Heterocyclic urea compounds BIOTA EUROPE LTD. (GB) 2015-06-23 US disclosed
US-20140323486-A1 HETEROCYCLIC UREA COMPOUNDS SPERO GYRASE, INC. 2014-10-30 US disclosed
US-20140235671-A1 SCRIPTAID ISOSTERES AND THEIR USE IN THERAPY KARUS THERAPEUTICS LIMITED (GB) 2014-08-21 US disclosed
US-20140235671-A1 SCRIPTAID ISOSTERES AND THEIR USE IN THERAPY KARUS THERAPEUTICS LIMITED (GB) 2014-08-21 US disclosed
WO-2010086646-A1 SCRIPTAID ISOSTERES AND THEIR USE IN THERAPY KARUS THERAPEUTICS LIMITED (GB) 2010-08-05 WO disclosed
US-20090256468-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-10-15 US disclosed
US-20090256468-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-10-15 US disclosed
EP-2096108-A1 Novel organic electroluminescent compounds and organic electroluminscent device using the same Gracel Display Inc. (KR) 2009-09-02 EP disclosed
WO-2009022171-A1 PYRIDINYIIOXY PYRIDINES AS ALK5 INHIBITORS ASTRAZENECA AB (SE) 2009-02-19 WO disclosed
EP-2010487-A1 5-AMIDO-2-CARBOXAMIDE INDOLES F. Hoffmann-Roche AG (CH) 2009-01-07 EP disclosed
WO-2007115938-A1 5-AMIDO-2-CARBOXAMIDE INDOLES F. HOFFMANN-LA ROCHE AG (CH) 2007-10-18 WO disclosed
US-20060293503-A1 Polyaminopyridines and method for producing same SUMITOMO SEIKA CHEMICALS CO., LTD (JP) 2006-12-28 US disclosed
EP-1669390-A1 POLYAMINOPYRIDINES AND METHOD FOR PRODUCING SAME SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2006-06-14 EP 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 (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-20140235671-A1 SCRIPTAID ISOSTERES AND THEIR USE IN THERAPY QARS1, C1QBP, QTRT1 TSHR 1920/4885KMT2A 1846/4885MEN1 3591/4885
US-20140323486-A1 HETEROCYCLIC UREA COMPOUNDS UMPS, URB2, UROD TSHR 3413/4885KMT2A 3774/4885MEN1 3358/4885
US-20090256468-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same ORMDL3, OCIAD1, OCIAD2 TSHR 4697/4885KMT2A 2666/4885MEN1 4282/4885

“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.