SCHEMBL12459031

SCHEMBL12459031

Cc1nc(N)c2ccc(C(C)(C)C)cc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.45
HRH3 Q9Y5N1 2/20 0.45
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38
HSP90AB1 P08238 1/20 0.38
SCN10A Q9Y5Y9 2/20 0.37
KCNH2 Q12809 1/20 0.37
LRRK2 Q5S007 1/20 0.37
DHFR P00374 2/20 0.37
PDE4D Q08499 1/20 0.36
PDE7A Q13946 1/20 0.36
TARS1 P26639 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
NPY5R Q15761 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
SCHEMBL14063677 0.84 HRH4 (0.56) HRH4HRH3DHFRNPC1RAB9A
SCHEMBL12227510 0.82 HRH4 (0.42) HRH4HRH3MEN1ALDH1A1GAA
SCHEMBL29663215 0.78 DHFR (0.49) HRH3MEN1ALDH1A1MAPTKMT2A
SCHEMBL12457557 0.78 HRH4 (0.46) HRH4MEN1ALDH1A1GAAMAPT
SCHEMBL14805706 0.76 KIF11 (0.39) MAPTHSP90AB1KCNH2DHFRPDE4D
SCHEMBL14805690 0.76 KDM4E (0.39) HSP90AB1KCNH2DHFRPDE4DPDE7A
SCHEMBL2777857 0.75 MPO (0.46) MAPTHSP90AB1KCNH2DHFRPDE4D
SCHEMBL29767527 0.75 MPO (0.46) MAPTHSP90AB1KCNH2DHFRPDE4D
SCHEMBL24506593 0.74 HRH4 (0.46) HRH4HRH3MEN1ALDH1A1GAA
SCHEMBL2054670 0.74 PI4KA (0.48) HRH4HRH3MEN1ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230212143-A9 PRMT5 INHIBITOR COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2023-07-06 US disclosed
US-10865216-B2 Tricyclic Gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-12-15 US disclosed
US-10858360-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-12-08 US disclosed
US-20170369498-A1 TRICYCLIC GYRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-12-28 US disclosed
US-9732083-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-15 US disclosed
US-9732083-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-15 US disclosed
US-20150246934-A1 TRICYCLIC GYRASE INHIBITORS MERCK SHARP & DOHME LLC 2015-09-03 US disclosed
US-20120238751-A1 TRICYCLIC GYRASE INHIBITORS TRIUS THERAPEUTICS, INC. (US) 2012-09-20 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 (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-20120238751-A1 TRICYCLIC GYRASE INHIBITORS TOP1, TOP2A, TOP2B HRH4 4775/4885HRH3 4651/4885MEN1 3398/4885
US-20150246934-A1 TRICYCLIC GYRASE INHIBITORS TOP1, TOP2A, TOP2B HRH4 4780/4885HRH3 4648/4885MEN1 3481/4885
US-10858360-B2 Tricyclic gyrase inhibitors TOP1, TOP2A, TOP2B HRH4 4775/4885HRH3 4651/4885MEN1 3398/4885
US-20170369498-A1 TRICYCLIC GYRASE INHIBITORS TOP1, TOP2A, TOP2B HRH4 4775/4885HRH3 4651/4885MEN1 3398/4885
US-20230212143-A9 PRMT5 INHIBITOR COMPOUNDS PRMT5, PRMT1, PRMT6 HRH4 942/4885HRH3 855/4885MEN1 879/4885
US-10865216-B2 Tricyclic Gyrase inhibitors TOP1, TOP2A, TOP2B HRH4 4780/4885HRH3 4648/4885MEN1 3481/4885

“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.