SCHEMBL7706331

SCHEMBL7706331

O=C(O)c1nnc2ccccc2c1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.51
MAP2K3 P46734 1/20 0.51
MAP2K6 P52564 1/20 0.51
BTK Q06187 1/20 0.51
MAP3K19 Q56UN5 1/20 0.51
NEK10 Q6ZWH5 1/20 0.51
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPT P10636 1/20 0.50
GPR3 P46089 1/20 0.48
DHODH Q02127 4/20 0.45
PDE10A Q9Y233 3/20 0.45
DYRK1A Q13627 3/20 0.41
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LDHA P00338 1/20 0.39
THRB P10828 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL31371878 1.00 LCK (0.51) LCKMAP2K3MAP2K6BTKMAP3K19
Aminomethylamide SCHEMBL27390143 0.89 LCK (0.50) LCKMAP2K3MAP2K6BTKMAP3K19
SCHEMBL9525498 0.83 LCK (0.50) LCKMAP2K3MAP2K6BTKMAP3K19
SCHEMBL6890781 0.83 LCK (0.69) LCKMAP2K3MAP2K6BTKMAP3K19
SCHEMBL9496321 0.81 LCK (0.77) LCKMAP2K3MAP2K6BTKMAP3K19
SCHEMBL10752890 0.81 PDE10A (0.51) LCKMAP2K3MAP2K6BTKMAP3K19
SCHEMBL9524877 0.80 ADORA3 (0.56) LCKMAP2K3MAP2K6BTKMAP3K19
SCHEMBL16132525 0.79 PDE10A (0.50) LCKMAP2K3MAP2K6BTKMAP3K19
SCHEMBL10532532 0.79 LCK (0.50) LCKMAP2K3MAP2K6BTKMAP3K19
SCHEMBL1123696 0.79 KDM4E (0.47) LCKMAP2K3MAP2K6BTKMAP3K19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9884828-B2 Substituted cinnolines as inhibitors of LRRK2 kinase activity IMAGO PHARMACEUTICALS, INC. (US) 2018-02-06 US disclosed
US-9757375-B2 Compounds that inhibit human DNA ligases and methods of treating cancer UNIVERSITY OF MARYLAND, BALTIMORE (US) 2017-09-12 US disclosed
US-9757375-B2 Compounds that inhibit human DNA ligases and methods of treating cancer UNIVERSITY OF MARYLAND, BALTIMORE (US) 2017-09-12 US disclosed
US-20150313898-A1 COMPOUNDS THAT INHIBIT HUMAN DNA LIGASES AND METHODS OF TREATING CANCER NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-11-05 US disclosed
US-20150313898-A1 COMPOUNDS THAT INHIBIT HUMAN DNA LIGASES AND METHODS OF TREATING CANCER NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-11-05 US disclosed
US-20150284337-A1 INHIBITORS OF LRRK2 KINASE ACTIVITY ELAN PHARMACEUTICALS, INC. (US) 2015-10-08 US disclosed
US-9073896-B2 Compounds that inhibit human DNA ligases and methods of treating cancer UNIVERSITY OF MARYLAND, BALTIMORE (US) 2015-07-07 US disclosed
US-9073896-B2 Compounds that inhibit human DNA ligases and methods of treating cancer UNIVERSITY OF MARYLAND, BALTIMORE (US) 2015-07-07 US disclosed
EP-2726465-A1 INHIBITORS OF LRRK2 KINASE ACTIVITY Elan Pharmaceuticals Inc. (US) 2014-05-07 EP disclosed
US-20140113891-A1 Compounds that inhibit human DNA ligases and methods of treating cancer NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-04-24 US disclosed
EP-0277791-B1 CINNOLINE-CARBOXAMIDES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.r.l. (IT) 1993-06-02 EP disclosed
US-4826837-A IMMUNOMODULATORS FARMITALIA CARLO ERBA S.R.L. (IT) 1989-05-02 US disclosed
EP-0277791-A2 Cinnoline-carboxamides and process for their preparation FARMITALIA CARLO ERBA S.r.l. (IT) 1988-08-10 EP disclosed
US-4160087-A BACTERICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1979-07-03 US disclosed
US-4156724-A N-acylamino-alpha-arylacetamido cephalosporins and antibacterial compositions and methods containing them SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1979-05-29 US disclosed
US-4005075-A Penicillins and their preparation SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-01-25 US disclosed
US-4003887-A ANTIMICROBIAL SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-01-18 US disclosed
US-3992371-A BACTERICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-11-16 US disclosed
US-3954733-A ANTIBIOTIC SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-05-04 US disclosed
US-3945995-A ANTIBIOTICS, PENICILLIN SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-03-23 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 (3 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-20150284337-A1 INHIBITORS OF LRRK2 KINASE ACTIVITY LRRK2, PARK7, PINK1 LCK 472/4885MAP2K3 306/4885MAP2K6 303/4885
US-20150313898-A1 COMPOUNDS THAT INHIBIT HUMAN DNA LIGASES AND METHODS OF TREATING CANCER LIG1, LIG4, LIG3 LCK 3131/4885MAP2K3 3383/4885MAP2K6 3184/4885
US-20140113891-A1 Compounds that inhibit human DNA ligases and methods of treating cancer LIG1, LIG4, LIG3 LCK 3131/4885MAP2K3 3383/4885MAP2K6 3184/4885

“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.