SCHEMBL209538

SCHEMBL209538

Clc1ccc2c(c1)[N]N=C2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.33
NR4A2 P43354 3/20 0.32
F7 P08709 1/20 0.31
F3 P13726 1/20 0.31
DYRK1A Q13627 1/20 0.31
TSHR P16473 5/20 0.31
CYP3A4 P08684 3/20 0.31
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
ALOX15 P16050 1/20 0.31
SOS2 Q07890 1/20 0.31
CYP2A6 P11509 2/20 0.30
LMNA P02545 1/20 0.30
HSD17B10 Q99714 2/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL209513 0.73 TRPA1 (0.33) ALOX15CYP2A6AHR
SCHEMBL322631 0.64 TP53 (0.33) TP53F7F3DYRK1ATSHR
SCHEMBL20876152 0.61 CYP3A4 (0.34) TP53NR4A2CYP3A4ALDH1A1HSD17B10
SCHEMBL8965017 0.60 TP53 (0.35) TP53F7F3DYRK1ATSHR
SCHEMBL4671502 0.60 TP53 (0.35) TP53F7F3DYRK1ATSHR
SCHEMBL17664095 0.57 TP53 (0.36) TP53NR4A2F7F3DYRK1A
SCHEMBL2052786 0.57 S100A4 (0.46) TP53TSHRCYP3A4ALDH1A1SMN1; SMN2
SCHEMBL17275651 0.57
SCHEMBL2327323 0.56 TP53 (0.35) TP53F7F3DYRK1ATSHR
SCHEMBL207169 0.56 TP53 (0.35) TP53F7F3DYRK1ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9102669-B2 Substituted piperidinyl-pyridazinyl derivatives useful as SCD 1 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2015-08-11 US claimed
US-20140371220-A1 SUBSTITUTED PIPERIDINYL-PYRIDAZINYL DERIVATIVES USEFUL AS SCD 1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-12-18 US claimed
EP-2212329-B1 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (1) CHOONGWAE PHARMA CORP (KR) 2014-07-30 EP claimed
WO-2013085957-A1 SUBSTITUTED PIPERIDINYL-PYRIDAZINYL DERIVATIVES USEFUL AS SCD 1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2013-06-13 WO claimed
CN-101827849-A Novel compounds of reverse turn mimetics and the use thereof (1) CHOONGWAE PHARMA CORP 2010-09-08 CN claimed
EP-2212329-A2 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (1) Choongwae Pharma Corporation (KR) 2010-08-04 EP claimed
WO-2009051399-A2 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (1) CHOONGWAE PHARMA CORPORATION (KR) 2009-04-23 WO claimed
EP-1925611-B1 OPTICALLY ACTIVE DIAMINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME DAIICHI SANKYO CO LTD (JP) 2016-04-13 EP disclosed
CN-103214414-B The diamine derivative of opticity and manufacture method thereof SANKYO CO. (JP) 2016-02-17 CN disclosed
EP-2590944-B1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2015-09-30 EP disclosed
US-9102669-B2 Substituted piperidinyl-pyridazinyl derivatives useful as SCD 1 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2015-08-11 US disclosed
US-20140371220-A1 SUBSTITUTED PIPERIDINYL-PYRIDAZINYL DERIVATIVES USEFUL AS SCD 1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-12-18 US disclosed
EP-2212329-B1 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (1) CHOONGWAE PHARMA CORP (KR) 2014-07-30 EP disclosed
US-20050119486-A1 Diamine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2005-06-02 US disclosed
US-20050020645-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-01-27 US disclosed
US-20040122063-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-24 US disclosed
EP-1415992-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 EP disclosed
EP-1405852-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-07 EP disclosed
CN-1438993-A Ethylenediamine derivatives DAIICHI SEIYAKU CO (JP) 2003-08-27 CN disclosed
EP-1270557-A1 ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-01-02 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 (4 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-20050020645-A1 Diamine derivatives C9, C1S, C1R TP53 4113/4885NR4A2 3125/4885F7 639/4885
US-20140371220-A1 SUBSTITUTED PIPERIDINYL-PYRIDAZINYL DERIVATIVES USEFUL AS SCD 1 INHIBITORS SCD, SCD5, PLIN1 TP53 4821/4885NR4A2 1823/4885F7 4725/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R TP53 4113/4885NR4A2 3125/4885F7 639/4885
US-20040122063-A1 Ethylenediamine derivatives ECE1, F2, ECE2 TP53 3477/4885NR4A2 1317/4885F7 491/4885

“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.