SCHEMBL3417205

SCHEMBL3417205

NC(=O)c1cc(-c2cccnc2)[nH]n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.55
ALDH1A1 P00352 1/20 0.55
CYP1A2 P05177 1/20 0.55
MKNK1 Q9BUB5 7/20 0.50
MKNK2 Q9HBH9 7/20 0.50
HPGDS O60760 1/20 0.48
CYP2A6 P11509 3/20 0.46
CYP2B6 P20813 3/20 0.46
PIM1 P11309 2/20 0.46
CHEK1 O14757 2/20 0.46
CYP2E1 P05181 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
ALK Q9UM73 1/20 0.45
F7 P08709 1/20 0.45
F3 P13726 1/20 0.45
SARM1 Q6SZW1 1/20 0.45
SIRT2 Q8IXJ6 1/20 0.45
SIRT6 Q8N6T7 1/20 0.45

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
SCHEMBL1759178 0.86 CYP3A4 (0.57) CYP3A4ALDH1A1CYP1A2MKNK1MKNK2
Hydrochloric Acid SCHEMBL71016 0.85 CYP3A4 (0.55) CYP3A4ALDH1A1CYP1A2MKNK1MKNK2
SCHEMBL3418973 0.84 ALDH1A1 (0.51) CYP3A4ALDH1A1CYP1A2MKNK1MKNK2
SCHEMBL12906820 0.82 RAB9A (0.52) ALDH1A1HPGDS
SCHEMBL12664226 0.81 CYP3A4 (0.51) CYP3A4ALDH1A1CYP1A2HPGDSCYP2A6
SCHEMBL12647964 0.81 CYP1A2 (0.51) CYP3A4ALDH1A1CYP1A2HPGDSCYP2A6
SCHEMBL2818771 0.78 KMT2A (0.57) CYP3A4ALDH1A1CYP1A2HPGDSCYP2C19
SCHEMBL71764 0.77 EGLN3 (0.49) CYP3A4ALDH1A1CYP1A2HPGDSPIM1
SCHEMBL3078162 0.77 CYP3A4 (0.89) CYP3A4ALDH1A1CYP1A2HPGDSCYP2A6
SCHEMBL3474810 0.76 ALDH1A1 (0.46) CYP3A4ALDH1A1CYP1A2HPGDSCYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12162860-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2024-12-10 US disclosed
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-11-09 US disclosed
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-07-25 US disclosed
US-20220396563-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2022-12-15 US disclosed
EP-3985002-A1 ARYL, HETEROARY, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS Achillion Pharmaceuticals, Inc. (US) 2022-04-20 EP disclosed
US-11084800-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2021-08-10 US disclosed
US-11084800-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2021-08-10 US disclosed
US-20200071301-A1 Aryi, Heteroaryl, and Heterocyclic Pharmaceutical Compounds for Treatment of Medical Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2020-03-05 US disclosed
US-20200071301-A1 Aryi, Heteroaryl, and Heterocyclic Pharmaceutical Compounds for Treatment of Medical Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2020-03-05 US disclosed
CN-110603252-A Aryl, heteroaryl and heterocyclic pharmaceutical compounds for the treatment of medical disorders 艾其林医药公司 2019-12-20 CN disclosed
WO-2018160889-A1 ARYL, HETEROARY, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2018-09-07 WO disclosed
EP-2593447-B1 3-PYRIDYL-HETEROARYLCARBOXAMIDE COMPOUNDS AS PESTICIDES BAYER IP GMBH (DE) 2016-08-17 EP disclosed
US-9233951-B2 Heterocyclic compounds as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-12 US disclosed
US-9233951-B2 Heterocyclic compounds as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-12 US disclosed
US-20120094837-A1 Novel Heterocyclic Compounds as Pesticides BAYER CROP SCIENCE AG (DE) 2012-04-19 US disclosed
US-20120094837-A1 Novel Heterocyclic Compounds as Pesticides BAYER CROP SCIENCE AG (DE) 2012-04-19 US disclosed
WO-2012007500-A2 NEW HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2012-01-19 WO 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 (7 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-20200071301-A1 Aryi, Heteroaryl, and Heterocyclic Pharmaceutical Compounds for Treatment of Medical Disorders CFD, TFPI, CFH CYP3A4 81/4885ALDH1A1 2545/4885CYP1A2 216/4885
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders CFD, TFPI, CFH CYP3A4 57/4885ALDH1A1 2338/4885CYP1A2 138/4885
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH CYP3A4 57/4885ALDH1A1 2338/4885CYP1A2 138/4885
US-20220396563-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH CYP3A4 57/4885ALDH1A1 2338/4885CYP1A2 138/4885
US-20120094837-A1 Novel Heterocyclic Compounds as Pesticides DDT, PTMS, ACHE CYP3A4 155/4885ALDH1A1 2531/4885CYP1A2 221/4885
US-11084800-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders CFD, TFPI, CFH CYP3A4 57/4885ALDH1A1 2338/4885CYP1A2 138/4885
US-12162860-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders CFD, TFPI, CFH CYP3A4 57/4885ALDH1A1 2338/4885CYP1A2 138/4885

“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.