SCHEMBL4949211

SCHEMBL4949211

N#Cc1ccc(CCCN)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.61
TSHR P16473 1/20 0.55
HSD17B10 Q99714 1/20 0.55
CYP2A6 P11509 1/20 0.50
KCNJ1 P48048 1/20 0.50
KCNH2 Q12809 1/20 0.50
MAOA P21397 2/20 0.45
IDO1 P14902 2/20 0.44
HTR2A P28223 1/20 0.43
MAOB P27338 1/20 0.43
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA9 Q16790 1/20 0.41
CYP19A1 P11511 3/20 0.41
DAO P14920 2/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
HRH1 P35367 1/20 0.41

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
Hydrochloric Acid SCHEMBL7418452 0.98 LOXL2 (0.59) LOXL2TSHRHSD17B10CYP2A6KCNJ1
SCHEMBL7427458 0.94 LOXL2 (0.59) LOXL2TSHRHSD17B10CYP2A6KCNJ1
Hydrochloric Acid SCHEMBL7415902 0.92 LOXL2 (0.57) LOXL2TSHRHSD17B10CYP2A6KCNJ1
SCHEMBL7387511 0.92 TSHR (0.61) LOXL2TSHRHSD17B10CYP2A6KCNJ1
SCHEMBL5609246 0.92 TSHR (0.61) LOXL2TSHRHSD17B10CYP2A6KCNJ1
SCHEMBL929380 0.86 LOXL2 (0.67) LOXL2TSHRHSD17B10CYP2A6KCNJ1
SCHEMBL9640908 0.86 TSHR (0.62) LOXL2TSHRHSD17B10CYP2A6KCNJ1
SCHEMBL10569888 0.86 TSHR (0.68) LOXL2TSHRHSD17B10CYP2A6KCNJ1
Hydrochloric Acid SCHEMBL2588394 0.84 LOXL2 (0.64) LOXL2TSHRHSD17B10CYP2A6KCNJ1
Bromide SCHEMBL28682315 0.84 LOXL2 (0.64) LOXL2TSHRHSD17B10CYP2A6KCNJ1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10654818-B2 Furane derivatives as inhibitors of ATAD2 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-05-19 US disclosed
US-20190218196-A1 FURANE DERIVATIVES AS INHIBITORS OF ATAD2 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-07-18 US disclosed
WO-2017093272-A1 FURANE DERIVATIVES AS INHIBITORS OF ATAD2 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-06-08 WO disclosed
US-8476267-B2 Imidazo-, pyrazolopyrazines and imidazotriazines and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-02 US disclosed
US-20110053929-A1 IMIDAZO-, PYRAZOLOPYRAZINES AND IMIDAZOTRIAZINES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-03 US disclosed
EP-1697356-B1 PYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINES AS PDE 2 INHIBITORS PFIZER PROD INC (US) 2008-02-27 EP disclosed
US-20070135457-A1 Pyrido[2,3-d]pyrimidine-2,4-diamines as pde2 inhibitors PFIZER INC. 2007-06-14 US disclosed
EP-1697356-A1 PYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINES AS PDE 2 INHIBITORS Pfizer Products Incorporated (US) 2006-09-06 EP disclosed
WO-2005061497-A1 PYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINES AS PDE 2 INHIBITORS PFIZER PRODUCTS INC. (US) 2005-07-07 WO disclosed
US-4585796-A HYPOGLYCEMIC, ANTI-OBESITY HOFFMANN-LA ROCHE INC. (US) 1986-04-29 US disclosed
EP-0101069-B1 PHENETHANOL AMINES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1986-04-23 EP disclosed
US-4536391-A REACTING A PLASMIN HEAVY CHAIN WITH UROKINASE IN THE PRESENCE OF A COUPLING AGENT OTSUKA PHARMACEUTICAL CO. (JP) 1985-08-20 US disclosed
EP-0109653-A2 Process for preparing urokinase complex OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-05-30 EP disclosed
EP-0101069-A1 Phenethanol amines F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1984-02-22 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-20190218196-A1 FURANE DERIVATIVES AS INHIBITORS OF ATAD2 ATAD2, ATAD2B, TAF1L LOXL2 3917/4885TSHR 4431/4885HSD17B10 779/4885
US-20070135457-A1 Pyrido[2,3-d]pyrimidine-2,4-diamines as pde2 inhibitors PDE12, PDE2A, PDE3A LOXL2 1407/4885TSHR 3198/4885HSD17B10 2420/4885
US-20110053929-A1 IMIDAZO-, PYRAZOLOPYRAZINES AND IMIDAZOTRIAZINES AND THEIR USE THPO, TPMT, IKZF3 LOXL2 4634/4885TSHR 1978/4885HSD17B10 4682/4885
US-10654818-B2 Furane derivatives as inhibitors of ATAD2 ATAD2, ATAD2B, TAF1L LOXL2 3917/4885TSHR 4431/4885HSD17B10 779/4885

“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.