SCHEMBL4063648

SCHEMBL4063648

Oc1ccc2cccnc2c1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.63
TSHR P16473 2/20 0.63
CHRM1 P11229 1/20 0.63
COMT P21964 1/20 0.63
ADRA1A P35348 1/20 0.63
METAP2 P50579 1/20 0.63
METAP1 P53582 1/20 0.63
HDAC8 Q9BY41 1/20 0.63
LMNA P02545 4/20 0.62
KDM4E B2RXH2 2/20 0.62
GMNN O75496 1/20 0.62
TP53 P04637 1/20 0.62
HSP90AA1 P07900 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2D6 P10635 1/20 0.62
MAPT P10636 1/20 0.62
MMP9 P14780 1/20 0.62
ALOX15 P16050 1/20 0.62
NFKB1 P19838 1/20 0.62
MMP8 P22894 1/20 0.62

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
Phenanthroline SCHEMBL28178589 0.85 MMP2 (0.73) MMP2TSHRCHRM1COMTADRA1A
SCHEMBL1286608 0.83 MMP2 (0.63) MMP2TSHRCHRM1COMTADRA1A
SCHEMBL9379959 0.81 MMP2 (0.61) MMP2TSHRCHRM1COMTADRA1A
SCHEMBL623096 0.79 LMNA (0.63) MMP2TSHRCHRM1COMTADRA1A
SCHEMBL10087891 0.79 HSP90AA1 (0.58) MMP2TSHRCHRM1COMTADRA1A
SCHEMBL114706 0.79 KDM4E (0.58) MMP2TSHRCHRM1COMTADRA1A
SCHEMBL5540587 0.79 MMP2 (0.59) MMP2TSHRCHRM1COMTADRA1A
SCHEMBL20480582 0.79 MMP2 (0.59) MMP2TSHRCHRM1COMTADRA1A
SCHEMBL112625 0.79 MMP2 (0.58) MMP2TSHRCHRM1COMTADRA1A
SCHEMBL113907 0.79 LMNA (0.58) MMP2TSHRCHRM1COMTADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208992-A1 MACROCYCLES AS CFTR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2024-06-27 US disclosed
EP-4308575-A1 MACROCYCLES AS CFTR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2024-01-24 EP disclosed
CN-116981672-A Macrocyclic compounds as CFTR modulators 爱杜西亚药品有限公司 2023-10-31 CN disclosed
US-20150299223-A1 2-SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LTD (GB) 2015-10-22 US disclosed
EP-2038280-A2 FUSED, TRICYCLIC SULFONAMIDE INHIBITORS OF GAMMA SECRETASE Elan Pharmaceuticals Inc. (US) 2009-03-25 EP disclosed
WO-2007143523-A2 FUSED, TRICYCLIC SULFONAMIDE INHIBITORS OF GAMMA SECRETASE ELAN PHARMACEUTICALS, INC. (US) 2007-12-13 WO disclosed
US-6635656-B1 Isolated from sponge haliclona tulearensis; antitumor agents PHARMA MAR, S.A. (ES) 2003-10-21 US disclosed
EP-1119565-A1 CYTOTOXIC ALKALOIDS (HALITULIN) PHARMA MAR, S.A. (ES) 2001-08-01 EP disclosed
WO-2000020411-A1 CYTOTOXIC ALKALOIDS (HALITULIN) PHARMA MAR, S.A. (ES) 2000-04-13 WO disclosed
US-3956420-A CPOLYOLEFIN COMPOSITION FOR ELECTRICAL INSULATIONFERROCENE, 8-SUBSTITUTED QUINOLINE DAINICHI-NIPPON CABLES, LTD. (JA) 1976-05-11 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 (2 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-20240208992-A1 MACROCYCLES AS CFTR MODULATORS CFTR, PKD1, ARRB1 MMP2 4465/4885TSHR 623/4885CHRM1 180/4885
US-20150299223-A1 2-SUBSTITUTED CEPHEM COMPOUNDS CEP170, ABL1, CEPT1 MMP2 2102/4885TSHR 4812/4885CHRM1 2403/4885

“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.