SCHEMBL16635800

SCHEMBL16635800

CC(C)(C)c1nc(-c2cccc(N)c2)no1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
MAP4K4 O95819 1/20 0.45
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
LMNA P02545 3/20 0.45
HPGD P15428 3/20 0.45
MEN1 O00255 2/20 0.45
MAPT P10636 2/20 0.45
KMT2A Q03164 2/20 0.45
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
NOTUM Q6P988 1/20 0.41
ATAD2 Q6PL18 1/20 0.41
AOC3 Q16853 2/20 0.41
AAK1 Q2M2I8 4/20 0.41
HPGDS O60760 2/20 0.40
MAOA P21397 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
TSHR P16473 2/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL16646759 0.85 AAK1 (0.53) L3MBTL1MAP4K4KDM4EALDH1A1LMNA
SCHEMBL16636444 0.85 AAK1 (0.44) L3MBTL1MAP4K4KDM4EALDH1A1LMNA
SCHEMBL2225015 0.84 HDAC6 (0.53) KDM4EALDH1A1LMNAHPGDMEN1
SCHEMBL16635470 0.84 AAK1 (0.54) L3MBTL1MAP4K4KDM4EALDH1A1LMNA
SCHEMBL16636813 0.84 AAK1 (0.54) L3MBTL1MAP4K4KDM4EALDH1A1LMNA
SCHEMBL4750636 0.81 HSD17B2 (0.49) L3MBTL1MAPTCNR1CNR2AOC3
SCHEMBL11891931 0.81 HPGDS (0.46) L3MBTL1MEN1MAPTKMT2ACNR1
SCHEMBL6497959 0.80 AOC3 (0.50) L3MBTL1KDM4EALDH1A1LMNAHPGD
SCHEMBL77622 0.80 NR1H4 (0.57) L3MBTL1KDM4EALDH1A1MEN1MAPT
SCHEMBL11915987 0.79 NR1H4 (0.59) L3MBTL1KDM4EALDH1A1HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3054955-B1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-05-30 EP disclosed
EP-3054955-B1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-05-30 EP disclosed
US-9737542-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-22 US disclosed
US-9737542-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-22 US disclosed
US-9737542-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-22 US disclosed
US-20160243125-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-08-25 US disclosed
US-20160243125-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-08-25 US disclosed
US-20160243125-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-08-25 US disclosed
EP-3054955-A1 PYRROLOTRIAZINE KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2016-08-17 EP disclosed
WO-2015054358-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-04-16 WO disclosed
WO-2015054358-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-04-16 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 (1 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-20160243125-A1 PYRROLOTRIAZINE KINASE INHIBITORS AAK1, DAPK2, DAPK1 L3MBTL1 2439/4885MAP4K4 117/4885KDM4E 1244/4885

“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.