SCHEMBL207168

SCHEMBL207168

Clc1ccc2n[c][nH]c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
HTR3A P46098 1/20 0.44
BACE1 P56817 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
DYRK1A Q13627 2/20 0.42
F7 P08709 1/20 0.42
F3 P13726 1/20 0.42
HPGD P15428 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PSMB8 P28062 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
TP53 P04637 2/20 0.40
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL207659 0.83 F7 (0.42) ALDH1A1HTR3EHTR3BHTR3ABACE1
SCHEMBL207131 0.75 ALPL (0.41) BACE1KDM4EKMT2AAHRMETAP2
SCHEMBL207428 0.75 ALDH1A1 (0.41) ALDH1A1BACE1DYRK1AKDM4EMAPT
SCHEMBL10973210 0.75 PRKCI (0.47) ALDH1A1DYRK1AHPGDSMN1; SMN2TDP1
SCHEMBL1967417 0.75 KMT2A (0.42) ALDH1A1HPGDSMN1; SMN2HSD17B10KDM4E
SCHEMBL7623293 0.75
SCHEMBL440275 0.74 MAPK13 (0.41) ALDH1A1DYRK1AHPGDSMN1; SMN2HSD17B10
SCHEMBL208833 0.73 DAO (0.46) ALDH1A1HPGDSMN1; SMN2TP53KDM4E
SCHEMBL1246822 0.71 NPBWR1 (0.44) BACE1DYRK1AKDM4EMETAP2CBFB
SCHEMBL1917623 0.71 MMP12 (0.51) ALDH1A1HPGDSMN1; SMN2TP53HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2362775-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2011-09-07 EP claimed
WO-2010059658-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-05-27 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-103333171-B Synthetic method of pyrrole [1,2-a ] quinoxaline derivative NANJING TECH UNIVERSITY (CN) 2015-10-28 CN disclosed
CN-103342705-A Method for synthesizing pyrrole [1,2-a ] quinoxaline derivative NANJING UNIVERSITY OF TECHNOLOGY 2013-10-09 CN disclosed
CN-103333171-A Synthetic method of pyrrole [1,2-a ] quinoxaline derivative NANJING UNIVERSITY OF TECHNOLOGY 2013-10-02 CN disclosed
EP-2431370-B1 Monoacylated 1,2-diaminocycloalkanes DAIICHI SANKYO CO LTD (JP) 2013-06-19 EP disclosed
EP-1577301-B1 Antithrombotic diaminocyclohexane derivatives DAIICHI SANKYO CO LTD (JP) 2012-09-12 EP disclosed
EP-2431370-A1 Monoacylated 1,2-diaminocycloalkanes DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-03-21 EP disclosed
US-8088796-B2 Triamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-03 US disclosed
US-20110312990-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-22 US disclosed
US-4172081-A Benzotriazole ultraviolet stabilizers EASTMAN KODAK COMPANY (US) 1979-10-23 US disclosed
US-4162254-A Benzoxazole ultraviolet stabilizers EASTMAN KODAK COMPANY (US) 1979-07-24 US disclosed
US-4137235-A ULTRAVIOLET STABILIZERS IN POLYMERIC COMPOSITIONS EASTMAN KODAK COMPANY (US) 1979-01-30 US disclosed
US-4116928-A Heterocylic ester, ultraviolet stabilizers and their use in organic compositions EASTMAN KODAK COMPANY (US) 1978-09-26 US disclosed
US-4116929-A POLYESTERS EASTMAN KODAK COMPANY (US) 1978-09-26 US disclosed
US-4096115-A Ultraviolet light stabilized polymers EASTMAN KODAK COMPANY (US) 1978-06-20 US disclosed
US-4065427-A Polychromophoric heterocyclic ultraviolet stabilizers and their use in organic compositions EASTMAN KODAK COMPANY (US) 1977-12-27 US disclosed
US-4017508-A POLYMERS EASTMAN KODAK COMPANY (US) 1977-04-12 US disclosed
US-4000148-A POLYMERS EASTMAN KODAK COMPANY (US) 1976-12-28 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 (1 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-20110312990-A1 Diamine Derivatives C9, C1S, C1R ALDH1A1 3734/4885HTR3E 2009/4885HTR3B 2709/4885

“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.