SCHEMBL2450159

SCHEMBL2450159

CCCc1cnc(N)nc1N

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DHFR P00374 8/20 0.59
PKM P14618 1/20 0.51

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
SCHEMBL30715140 1.00 DHFR (0.59) DHFRPKM
Hydrochloric Acid SCHEMBL28530443 0.98 DHFR (0.57) DHFRPKM
SCHEMBL28201697 0.88 PKM (0.56) DHFRPKM
SCHEMBL1554275 0.86 PKM (0.55) DHFRPKM
SCHEMBL29352921 0.86 PKM (0.55) DHFRPKM
SCHEMBL16701417 0.85 PKM (0.54) DHFRPKM
SCHEMBL9499492 0.85 PKM (0.54) DHFRPKM
SCHEMBL16701413 0.85 PKM (0.54) DHFRPKM
SCHEMBL30872658 0.85 PKM (0.54) DHFRPKM
Benzene SCHEMBL27894272 0.83 PKM (0.52) DHFRPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2362775-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2011-09-07 EP claimed
WO-2007009681-A1 1 , 1-DIOXID0-2 , 3-DIHYDRO-l , 2-BENZISOTHIAZ0L-6-YL-1H-INDAZOL-4-YL-2 , 4-PYRIMIDINEDI AMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2007-01-25 WO claimed
CN-117396469-A Inhibitors of plasma kallikrein 武田药品工业株式会社 2024-01-12 CN disclosed
US-11530198-B2 Compositions and methods for treating infections Vyera Pharmaceuticals, LLC (US) 2022-12-20 US disclosed
US-20200407345-A1 COMPOSITIONS AND METHODS FOR TREATING INFECTIONS TURING PHARMACEUTICALS LLC 2020-12-31 US disclosed
CN-107848987-B Process for producing nitrogen-containing heterocyclic compound and intermediate therefor 富士胶片株式会社 2020-10-23 CN disclosed
US-10774073-B2 Compositions and methods for treating infections Vyera Pharmaceuticals, LLC (US) 2020-09-15 US disclosed
US-20200270233-A1 DHFR INHIBITORS, COMPOSITIONS, AND METHODS RELATED THERETO Vyera Pharmaceuticals, LLC 2020-08-27 US disclosed
EP-3665165-A1 DHFR INHIBITORS, COMPOSITIONS, AND METHODS RELATED THERETO Vyera Pharmaceuticals, LLC (US) 2020-06-17 EP disclosed
US-20190077794-A1 COMPOSITIONS AND METHODS FOR TREATING INFECTIONS Vyera Pharmaceuticals, LLC (US) 2019-03-14 US disclosed
WO-2019032458-A1 DHFR INHIBITORS, COMPOSITIONS, AND METHODS RELATED THERETO Vyera Pharmaceuticals, LLC (US) 2019-02-14 WO disclosed
EP-3411367-A1 COMPOSITIONS AND METHODS FOR TREATING INFECTIONS Vyera Pharmaceuticals, LLC (US) 2018-12-12 EP disclosed
CN-105683167-B Salt of nitrogen-containing heterocyclic compound or crystal thereof, pharmaceutical composition, and F L T3 inhibitor 富士胶片株式会社 2018-10-23 CN disclosed
WO-2017136556-A1 COMPOSITIONS AND METHODS FOR TREATING INFECTIONS TURING PHARMACEUTICALS LLC (US) 2017-08-10 WO disclosed
WO-2014145625-A1 COMPOSITIONS AND METHODS FOR PROMOTING THE GENERATION OF ENDOCRINE CELLS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-09-18 WO disclosed
EP-2362775-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2011-09-07 EP disclosed
WO-2010072829-A1 SELECTIVE HISTAMINE H4 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF VESTIBULAR DISORDERS. INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2010-07-01 WO disclosed
US-20070185075-A1 Pyrimidine derivatives PFIZER LIMITED 2007-08-09 US disclosed
WO-2007009681-A1 1 , 1-DIOXID0-2 , 3-DIHYDRO-l , 2-BENZISOTHIAZ0L-6-YL-1H-INDAZOL-4-YL-2 , 4-PYRIMIDINEDI AMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2007-01-25 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 (6 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-20190077794-A1 COMPOSITIONS AND METHODS FOR TREATING INFECTIONS DHFR, DHODH, QDPR DHFR 1/4885PKM 862/4885
US-20070185075-A1 Pyrimidine derivatives TYMS, DPYD, TYMP DHFR 6/4885PKM 1531/4885
US-20200407345-A1 COMPOSITIONS AND METHODS FOR TREATING INFECTIONS DHFR, DHODH, QDPR DHFR 1/4885PKM 862/4885
US-11530198-B2 Compositions and methods for treating infections DHFR, DHODH, QDPR DHFR 1/4885PKM 862/4885
US-20200270233-A1 DHFR INHIBITORS, COMPOSITIONS, AND METHODS RELATED THERETO DHFR, DHODH, FPGS DHFR 1/4885PKM 1424/4885
US-10774073-B2 Compositions and methods for treating infections DHFR, DHODH, QDPR DHFR 1/4885PKM 862/4885

“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.