SCHEMBL3243350

SCHEMBL3243350

NCc1ccc2c(c1)CNCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PNMT P11086 6/20 0.55
ADRA2A P08913 2/20 0.55
ADRA2B P18089 2/20 0.55
ADRA2C P18825 2/20 0.55
DRD2 P14416 1/20 0.51
DRD3 P35462 1/20 0.51
TPSAB1 Q15661 1/20 0.49
CD44 P16070 1/20 0.48
MAOB P27338 1/20 0.48

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
SCHEMBL5811572 0.93 ASIC3 (0.55) PNMTADRA2AADRA2BADRA2CDRD2
Hydrochloric Acid SCHEMBL3668552 0.91 ASIC3 (0.53) PNMTADRA2AADRA2BADRA2CDRD2
SCHEMBL28959626 0.84 PLAU (0.38) PNMTDRD2DRD3TPSAB1
SCHEMBL3240122 0.81 PNMT (0.55) PNMTADRA2AADRA2BADRA2CDRD2
SCHEMBL22542171 0.81 PNMT (0.55) PNMTADRA2AADRA2BADRA2CDRD2
SCHEMBL13650345 0.81 PNMT (0.55) PNMTADRA2AADRA2BADRA2CDRD2
SCHEMBL10264220 0.81 PNMT (0.55) PNMTADRA2AADRA2BADRA2CDRD2
Hydrochloric Acid SCHEMBL22465809 0.80 PNMT (0.53) PNMTADRA2AADRA2BADRA2CDRD2
SCHEMBL3056002 0.79 PLAU (0.58) PNMTADRA2AADRA2BADRA2CDRD2
SCHEMBL15331291 0.79 PNMT (0.51) PNMTADRA2AADRA2BADRA2CDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1227803-B1 COMPOUNDS FOR INHIBITING IAPP-ASSOCIATED AMYLOID DEPOSITS BELLUS HEALTH INTERNATIONAL LTD (CH) 2010-05-05 EP claimed
US-6562836-B1 Islet amyloid polypeptide (IAPP) is known to be capable of forming fibrils which are deposited in the pancreas of patients wtih type II diabetes QUEEN'S UNIVERSITY OF KINGSTON (CA) 2003-05-13 US claimed
US-9695166-B2 Pyrazolopyridine pyrazolopyrimidine and related compounds GLOBAL BLOOD THERAPEUTICS, INC. (US) 2017-07-04 US disclosed
US-9695166-B2 Pyrazolopyridine pyrazolopyrimidine and related compounds GLOBAL BLOOD THERAPEUTICS, INC. (US) 2017-07-04 US disclosed
US-9695166-B2 Pyrazolopyridine pyrazolopyrimidine and related compounds GLOBAL BLOOD THERAPEUTICS, INC. (US) 2017-07-04 US disclosed
WO-2015171527-A1 PYRAZOLOPYRIDINE PYRAZOLOPYRIMIDINE AND RELATED COMPOUNDS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2015-11-12 WO disclosed
WO-2015171527-A1 PYRAZOLOPYRIDINE PYRAZOLOPYRIMIDINE AND RELATED COMPOUNDS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2015-11-12 WO disclosed
US-20150315198-A1 PYRAZOLOPYRIDINE PYRAZOLOPYRIMIDINE AND RELATED COMPOUNDS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2015-11-05 US disclosed
US-20150315198-A1 PYRAZOLOPYRIDINE PYRAZOLOPYRIMIDINE AND RELATED COMPOUNDS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2015-11-05 US disclosed
US-20150315198-A1 PYRAZOLOPYRIDINE PYRAZOLOPYRIMIDINE AND RELATED COMPOUNDS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2015-11-05 US disclosed
US-7393875-B2 Reducing islet amyloid polypeptide (IAPP) associated deposit; type II diabetes NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2008-07-01 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-20150315198-A1 PYRAZOLOPYRIDINE PYRAZOLOPYRIMIDINE AND RELATED COMPOUNDS TPMT, DPYD, XDH PNMT 2513/4885ADRA2A 1327/4885ADRA2B 1212/4885

“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.