SCHEMBL19209908

SCHEMBL19209908

Nc1nc(Cl)c(N2CCN(c3ccccc3)CC2)c(C2CC2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 8/20 0.50
MAPT P10636 7/20 0.43
GFER P55789 2/20 0.43
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
GAA P10253 2/20 0.40
POLB P06746 2/20 0.39
THRB P10828 1/20 0.39
HTR1A P08908 2/20 0.39
DRD2 P14416 2/20 0.39
HTR2A P28223 2/20 0.39
HTR7 P34969 2/20 0.39
HTR6 P50406 2/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
PLA2G1B P04054 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
ALOX12 P18054 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL19209917 0.86 DHFR (0.63) DHFRMAPTGFER
SCHEMBL20723306 0.84 DHFR (0.50) DHFRMAPTGFERMAPK1HTT
SCHEMBL6982632 0.69 DHFR (0.48) DHFRMAPTGFERGAAHTR1A
SCHEMBL10650845 0.67 DHFR (0.56) DHFRMAPTGFERMAPK1HTT
SCHEMBL6700884 0.67 DHFR (1.00) DHFRMAPTGFER
SCHEMBL20804446 0.67 DHFR (1.00) DHFRMAPTGFER
Hydrochloric Acid SCHEMBL10651989 0.66 DHFR (0.97) DHFRMAPTGFER
SCHEMBL23413092 0.64 P2RX7 (0.42) DHFRMAPTGFERMAPK1HTT
SCHEMBL20734782 0.64 DHFR (1.00) DHFR
SCHEMBL164538 0.64 LMNA (0.67) MAPTMAPK1GAAPOLBHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11530198-B2 Compositions and methods for treating infections Vyera Pharmaceuticals, LLC (US) 2022-12-20 US 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
US-20200407345-A1 COMPOSITIONS AND METHODS FOR TREATING INFECTIONS TURING PHARMACEUTICALS LLC 2020-12-31 US disclosed
US-10774073-B2 Compositions and methods for treating infections Vyera Pharmaceuticals, LLC (US) 2020-09-15 US 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
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
CN-111225908-A DHFR inhibitors, compositions, and methods related thereto 维耶拉制药有限责任公司 2020-06-02 CN disclosed
US-20190077794-A1 COMPOSITIONS AND METHODS FOR TREATING INFECTIONS Vyera Pharmaceuticals, LLC (US) 2019-03-14 US 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
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
WO-2017136556-A1 COMPOSITIONS AND METHODS FOR TREATING INFECTIONS TURING PHARMACEUTICALS LLC (US) 2017-08-10 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 (5 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 1/4885MAPT 2175/4885GFER 421/4885
US-20200407345-A1 COMPOSITIONS AND METHODS FOR TREATING INFECTIONS DHFR, DHODH, QDPR DHFR 1/4885MAPT 2175/4885GFER 421/4885
US-11530198-B2 Compositions and methods for treating infections DHFR, DHODH, QDPR DHFR 1/4885MAPT 2175/4885GFER 421/4885
US-20200270233-A1 DHFR INHIBITORS, COMPOSITIONS, AND METHODS RELATED THERETO DHFR, DHODH, FPGS DHFR 1/4885MAPT 2452/4885GFER 82/4885
US-10774073-B2 Compositions and methods for treating infections DHFR, DHODH, QDPR DHFR 1/4885MAPT 2175/4885GFER 421/4885

“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.