SCHEMBL7036627

SCHEMBL7036627

Cc1ccc(-n2cncn2)c(F)c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
GPR119 Q8TDV5 3/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
BLM P54132 1/20 0.40
MGLL Q99685 1/20 0.40
S1PR3 Q99500 2/20 0.38
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
S1PR1 P21453 1/20 0.36
RAB9A P51151 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL1485069 0.82 CYP3A4 (0.56) CYP1A2CYP3A4CYP2C9CYP2C19GPR119
SCHEMBL16944266 0.82 POLB (0.42) CYP1A2CYP3A4CYP2C9CYP2C19POLB
SCHEMBL7036622 0.79 CYP1A2 (0.54) CYP1A2CYP3A4CYP2C9CYP2C19GPR119
SCHEMBL14862815 0.79 CYP1A2 (0.57) CYP1A2CYP3A4CYP2C9CYP2C19GPR119
SCHEMBL2658961 0.79 CYP1A2 (0.54) CYP1A2CYP3A4CYP2C9CYP2C19GPR119
SCHEMBL2896197 0.79 CYP1A2 (0.54) CYP1A2CYP3A4CYP2C9CYP2C19GPR119
SCHEMBL4447504 0.79 CYP1A2 (0.57) CYP1A2CYP3A4CYP2C9CYP2C19GPR119
SCHEMBL12391462 0.79 BLM (0.43) CYP1A2CYP3A4CYP2C9CYP2C19POLB
SCHEMBL20201227 0.79 HSD17B10 (0.42) CYP1A2CYP3A4CYP2C9CYP2C19POLB
SCHEMBL21021768 0.78 POLB (0.40) CYP1A2CYP3A4CYP2C9CYP2C19POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9629369-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2017-04-25 US disclosed
WO-2015112739-A9 COMPOUNDS AND METHOD FOR TREATING PARP1-DEFICIENT CANCERS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-10-20 WO disclosed
WO-2015112739-A1 COMPOUNDS AND METHOD FOR TREATING PARP1-DEFICIENT CANCERS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2015-07-30 WO disclosed
US-6613747-B2 Erythromycins to treat community-acquired pneumonia and upper and lower respiratory tract, skin and soft tissue, hospital-acquired lung, bone and joint infections; Staphyloccus; Enterococcus; Moraxella; Hemophilus; antibiotic resistance ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-09-02 US disclosed
US-20030013663-A1 6-O-CARBAMOYL KETOLIDE ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-01-16 US disclosed
US-6472372-B1 6-O-Carbamoyl ketolide antibacterials ORTHO-MCNEIL PHARMACEUTICALS, INC. 2002-10-29 US disclosed
US-20020115620-A1 6-0-carbamoyl ketolide antibacterials ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-08-22 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-20030013663-A1 6-O-CARBAMOYL KETOLIDE ANTIBACTERIALS Q6ZSR9, KDM4E, HK1 CYP1A2 2899/4885CYP3A4 1070/4885CYP2C9 747/4885
US-20020115620-A1 6-0-carbamoyl ketolide antibacterials Q6ZSR9, HK1, KDM4E CYP1A2 3028/4885CYP3A4 1193/4885CYP2C9 753/4885

“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.