SCHEMBL7520952

SCHEMBL7520952

CCCNc1ccc(C#N)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.50
ABCG2 Q9UNQ0 2/20 0.50
ABCC1 P33527 1/20 0.50
CYP2A6 P11509 2/20 0.48
GAA P10253 3/20 0.47
LOXL2 Q9Y4K0 1/20 0.45
ALDH1A1 P00352 2/20 0.43
MMP2 P08253 1/20 0.43
MGLL Q99685 1/20 0.41
MAPT P10636 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ICMT O60725 1/20 0.41
SAE1 Q9UBE0 1/20 0.41
UBA2 Q9UBT2 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 1/20 0.40
CYP1B1 Q16678 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
SCHEMBL8176730 0.88 ABCB1 (0.52) ABCB1ABCG2ABCC1CYP2A6GAA
SCHEMBL11500089 0.86 MGLL (0.50) ABCB1ABCG2ABCC1CYP2A6GAA
SCHEMBL11465958 0.85 MGLL (0.52) ABCB1ABCG2ABCC1CYP2A6GAA
SCHEMBL11475163 0.85 MGLL (0.52) ABCB1ABCG2ABCC1CYP2A6GAA
SCHEMBL11458650 0.85 MGLL (0.52) ABCB1ABCG2ABCC1CYP2A6GAA
SCHEMBL3476184 0.85 MGLL (0.52) ABCB1ABCG2ABCC1CYP2A6GAA
SCHEMBL11476246 0.85 MGLL (0.52) ABCB1ABCG2ABCC1CYP2A6GAA
SCHEMBL5283982 0.85 MGLL (0.52) ABCB1ABCG2ABCC1CYP2A6GAA
SCHEMBL11278352 0.85 MGLL (0.52) ABCB1ABCG2ABCC1CYP2A6GAA
SCHEMBL11289367 0.85 MGLL (0.52) ABCB1ABCG2ABCC1CYP2A6GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3397629-B1 METALLOENZYME INHIBITOR COMPOUNDS NQP 1598 LTD (KY) 2023-04-19 EP disclosed
EP-3027615-B1 ANTI-INFECTIVE COMPOUNDS PASTEUR INSTITUT KOREA (KR) 2021-07-21 EP disclosed
US-20190330189-A1 ANTIBACTERIAL COMPOUNDS JANSSEN SCIENCES IRELAND UC (IE) 2019-10-31 US disclosed
US-9926314-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2018-03-27 US disclosed
US-20170092869-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2017-03-30 US disclosed
US-9556169-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2017-01-31 US disclosed
US-20160333012-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2016-11-17 US disclosed
US-20150344471-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2015-12-03 US disclosed
US-20020193389-A1 Method of inhibiting neoplastic cells with imidazoquinazoline derivatives OSI PHARMACEUTICALS, INC. 2002-12-19 US disclosed
US-6127541-A 8-((DISUBSTITUTED AMINO)BENZYLAMINO)-2,3-DIHYDRO-1H-IMIDAZO(4,5-G)QUINAZOLINE-(2-THIONE OR 2-ONE); SELECTIVE CYCLIC GUANOSINE 3',5' MONOPHOSPHATE (CGMP)--SPECIFIC PHOSPHODIESTERASE (PDE) INHIBITORY ACTIVITY KYOWA HAKKO KOGYO CO., LTD. (JP) 2000-10-03 US disclosed
CN-1205008-A Imidazoquinazoline derivatives KYOWA HAKKO KOGYO KK (JP) 1999-01-13 CN disclosed
EP-0863144-A1 IMIDAZOQUINAZOLINE DERIVATIVES Kyowa Hakko Co., Ltd. (JP) 1998-09-09 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 (5 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-20150344471-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES MAPT, CYP11B1, CYP11B2 ABCB1 71/4885ABCG2 1126/4885ABCC1 436/4885
US-20170092869-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF GPX1, OR51E2, PIEZO1 ABCB1 2930/4885ABCG2 3811/4885ABCC1 1827/4885
US-20190330189-A1 ANTIBACTERIAL COMPOUNDS FDPS, SQOR, NDUFS3 ABCB1 493/4885ABCG2 852/4885ABCC1 450/4885
US-20160333012-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES MAPT, CYP11B1, CYP11B2 ABCB1 71/4885ABCG2 1126/4885ABCC1 436/4885
US-20020193389-A1 Method of inhibiting neoplastic cells with imidazoquinazoline derivatives MKI67, HRAS, VHL ABCB1 1766/4885ABCG2 3232/4885ABCC1 2762/4885

“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.