SCHEMBL5511069

SCHEMBL5511069

Nc1cc(-c2ccc(F)cc2)nc(N)n1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.64
DYRK1A Q13627 3/20 0.61
ADORA2A P29274 4/20 0.50
ADORA1 P30542 3/20 0.50
ALDH1A1 P00352 3/20 0.48
ALOX5 P09917 1/20 0.48
RAB9A P51151 1/20 0.48
GLA P06280 1/20 0.45
GAA P10253 1/20 0.45
PKM P14618 1/20 0.45
HSD17B10 Q99714 2/20 0.45
CYP1A1 P04798 1/20 0.44
CYP1B1 Q16678 1/20 0.44
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
CYP1A2 P05177 1/20 0.43
MAPT P10636 1/20 0.42

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
SCHEMBL3452347 0.90 KDM4E (0.70) KDM4EDYRK1AADORA2AADORA1ALDH1A1
SCHEMBL13127057 0.81 KDM4E (0.60) KDM4EDYRK1AADORA2AADORA1ALDH1A1
SCHEMBL1644353 0.81 HSP90AA1 (0.68) KDM4EADORA2AADORA1ALDH1A1ALOX5
SCHEMBL3451384 0.81 KDM4E (0.60) KDM4EDYRK1AADORA2AADORA1ALDH1A1
SCHEMBL30488019 0.80 DYRK1A (0.61) KDM4EDYRK1AADORA2AADORA1ALDH1A1
SCHEMBL7379292 0.80 KDM4E (0.62) KDM4EDYRK1AADORA2AADORA1ALDH1A1
SCHEMBL28603599 0.80 DYRK1A (0.61) KDM4EDYRK1AADORA2AADORA1ALDH1A1
SCHEMBL12443814 0.80 ADORA2A (0.73) KDM4EDYRK1AADORA2AADORA1ALDH1A1
SCHEMBL29044811 0.79 KDM4E (0.56) KDM4EDYRK1AADORA2AADORA1CYP1A1
SCHEMBL30488015 0.79 KDM4E (0.56) KDM4EDYRK1AADORA2AADORA1CYP1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190201414-A1 INHIBITOR OF HEME DEGRADATION FOR USE TO IMPROVE ANTIBIOTIC TREATMENT OF MYCOBACTERIUM TUBERCULOSIS INFECTION THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERV (US) 2019-07-04 US disclosed
US-8450368-B2 Heme oxygenase inhibitors, screening methods for heme oxygenase inhibitors and methods of use of heme oxygenase inhibitors for antimicrobial therapy UNIVERSITY OF MARYLAND, BALTIMORE (US) 2013-05-28 US disclosed
US-8450368-B2 Heme oxygenase inhibitors, screening methods for heme oxygenase inhibitors and methods of use of heme oxygenase inhibitors for antimicrobial therapy UNIVERSITY OF MARYLAND, BALTIMORE (US) 2013-05-28 US disclosed
US-20100081661-A1 HEME OXYGENASE INHIBITORS, SCREENING METHODS FOR HEME OXYGENASE INHIBITORS AND METHODS OF USE OF HEME OXYGENASE INHIBITORS FOR ANTIMICROBIAL THERAPY UNIVERSITY OF MARYLAND, BALTIMORE (US) 2010-04-01 US disclosed
US-20100081661-A1 HEME OXYGENASE INHIBITORS, SCREENING METHODS FOR HEME OXYGENASE INHIBITORS AND METHODS OF USE OF HEME OXYGENASE INHIBITORS FOR ANTIMICROBIAL THERAPY UNIVERSITY OF MARYLAND, BALTIMORE (US) 2010-04-01 US disclosed
CN-100478364-C Ethylene polymer and molded article obtained therefrom MITSUI CHEMICALS INC (JP) 2009-04-15 CN disclosed
US-7208559-B2 Ethylened polymer and molded object obtained therefrom MITSUI CHEMICALS, INC. (JP) 2007-04-24 US disclosed
US-20060135712-A1 Ethylened polymer and molded object obtained therefrom MITSUI CHEMICALS, INC. (JP) 2006-06-22 US disclosed
CN-1732189-A Ethylene polymer and molded article obtained therefrom MITSUI CHEMICALS INC (JP) 2006-02-08 CN 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-20100081661-A1 HEME OXYGENASE INHIBITORS, SCREENING METHODS FOR HEME OXYGENASE INHIBITORS AND METHODS OF USE OF HEME OXYGENASE INHIBITORS FOR ANTIMICROBIAL THERAPY HMOX1, HMOX2, PPOX KDM4E 2274/4885DYRK1A 3322/4885ADORA2A 4176/4885
US-20190201414-A1 INHIBITOR OF HEME DEGRADATION FOR USE TO IMPROVE ANTIBIOTIC TREATMENT OF MYCOBACTERIUM TUBERCULOSIS INFECTION HMOX1, HMOX2, PPOX KDM4E 2238/4885DYRK1A 3322/4885ADORA2A 4574/4885

“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.