SCHEMBL77616

SCHEMBL77616

NC(=O)Cc1ncccn1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.48
P2RX7 Q99572 1/20 0.43
ACHE P22303 2/20 0.39
CA2 P00918 1/20 0.38
BCHE P06276 1/20 0.37
ADRA2A P08913 2/20 0.35
ADRA2B P18089 2/20 0.35
ADRA2C P18825 2/20 0.35
PLAU P00749 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PARP1 P09874 1/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
F2 P00734 1/20 0.34

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
SCHEMBL5094342 0.79 P2RX7 (0.41) HTTP2RX7KDM4ECYP1A2MAPT
SCHEMBL7962293 0.78 HTT (0.47) HTTP2RX7ACHECA2F2
SCHEMBL874090 0.77 CYP1A2 (0.50) HTTP2RX7KDM4ECYP1A2MAPT
SCHEMBL15718168 0.76 ACHE (0.42) HTTACHEBCHECYP1A2MAPT
SCHEMBL4801595 0.76 P2RX7 (0.40) HTTP2RX7KDM4ECYP1A2SMN1; SMN2
SCHEMBL14677877 0.75 ADRA2A (0.35) P2RX7ADRA2AADRA2BADRA2CPLAU
Hydrochloric Acid SCHEMBL6645397 0.75 KDM4E (0.48) HTTP2RX7KDM4ECYP1A2MAPT
SCHEMBL7769482 0.75 P2RX7 (0.38) HTTP2RX7KDM4ECYP1A2MAPT
SCHEMBL1719924 0.75 LMNA (0.47) HTTP2RX7KDM4ECYP1A2MAPT
SCHEMBL8539040 0.75 P2RX7 (0.38) HTTP2RX7KDM4ECYP1A2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101437812-A Quinoline derivatives for the treatment of cancer ASTRAZENECA AB (SE) 2009-05-20 CN claimed
US-20090042910-A1 QUINOLINE DERIVATIVES FOR TREATING CANCER ASTRAZENECA AB (SE) 2009-02-12 US claimed
EP-1994028-A1 QUINOLINE DERIVATIVES FOR TREATING CANCER AstraZeneca AB (SE) 2008-11-26 EP claimed
WO-2007099335-A1 QUINOLINE DERIVATIVES FOR TREATING CANCER ASTRAZENECA AB (SE) 2007-09-07 WO claimed
US-20230416205-A1 COMPOUNDS, COMPOSITIONS, AND METHODS TENVIE THERAPEUTICS, INC. 2023-12-28 US disclosed
WO-2023133271-A1 BICYCLIC PHTHALAZIN-1(2H)-ONE DERIVATIVES AND RELATED USES NodThera Limited (GB) 2023-07-13 WO disclosed
EP-3793565-B1 MCL-1 INHIBITORS GILEAD SCIENCES INC (US) 2022-01-05 EP disclosed
EP-3319943-B1 NITROGEN-CONTAINING HETEROCYCLES AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2019-06-26 EP disclosed
US-20140364415-A1 PYRROLO[2,3-d]PYRIMIDINE TROPOMYSIN-RELATED KINASE INHIBITORS PFIZER LIMITED (GB) 2014-12-11 US disclosed
US-8846698-B2 Pyrrolo[2,3-d]pyrimidine tropomysin-related kinase inhibitors PFIZER LIMITED (US) 2014-09-30 US disclosed
US-8734204-B2 Polishing solution for metal films and polishing method using the same HITACHI CHEMICAL COMPANY, LTD. (JP) 2014-05-27 US disclosed
EP-2651403-A2 USE OF LP-PLA2 INHIBITORS IN THE TREATMENT AND PREVENTION OF EYE DISEASES Glaxo Group Limited (GB) 2013-10-23 EP disclosed
US-20090131447-A1 COMBINATION THERAPY XENON PHARMACEUTICALS INC. (CA) 2009-05-21 US disclosed
CN-101437812-A Quinoline derivatives for the treatment of cancer ASTRAZENECA AB (SE) 2009-05-20 CN disclosed
US-20090042910-A1 QUINOLINE DERIVATIVES FOR TREATING CANCER ASTRAZENECA AB (SE) 2009-02-12 US disclosed
EP-1994028-A1 QUINOLINE DERIVATIVES FOR TREATING CANCER AstraZeneca AB (SE) 2008-11-26 EP disclosed
WO-2007099335-A1 QUINOLINE DERIVATIVES FOR TREATING CANCER ASTRAZENECA AB (SE) 2007-09-07 WO disclosed
US-20050173669-A1 Polishing fluid and method of polishing HITACHI CHEMICAL CO. LTD. (JP) 2005-08-11 US disclosed
EP-0528633-B1 Pyrimidinyl acetamides as elastase inhibitors ZENECA LTD (GB) 2000-10-18 EP disclosed
EP-0528633-A1 Pyrimidinyl acetamides as elastase inhibitors ZENECA LIMITED (GB) 1993-02-24 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-20140364415-A1 PYRROLO[2,3-d]PYRIMIDINE TROPOMYSIN-RELATED KINASE INHIBITORS DMPK, DTYMK, MUSK HTT 3196/4885P2RX7 1299/4885ACHE 4348/4885
US-20230416205-A1 COMPOUNDS, COMPOSITIONS, AND METHODS NLRP3, NLRP1, NOD1 HTT 3966/4885P2RX7 159/4885ACHE 4836/4885
US-20090042910-A1 QUINOLINE DERIVATIVES FOR TREATING CANCER RECQL, NQO2, NRAS HTT 1627/4885P2RX7 314/4885ACHE 1875/4885
US-20090131447-A1 COMBINATION THERAPY SCD, SCD5, ARG1 HTT 1989/4885P2RX7 3673/4885ACHE 4720/4885

“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.