SCHEMBL16635470

SCHEMBL16635470

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 7/20 0.54
L3MBTL1 Q9Y468 1/20 0.42
MAP4K4 O95819 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
HPGDS O60760 5/20 0.40
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
MGLL Q99685 1/20 0.39
CCR6 P51684 1/20 0.38
NOTUM Q6P988 1/20 0.37

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
SCHEMBL16636444 0.88 AAK1 (0.44) AAK1L3MBTL1MAP4K4KDM4EALDH1A1
SCHEMBL16646759 0.88 AAK1 (0.53) AAK1L3MBTL1MAP4K4KDM4EALDH1A1
SCHEMBL16636813 0.86 AAK1 (0.54) AAK1L3MBTL1MAP4K4KDM4EALDH1A1
SCHEMBL16635800 0.84 L3MBTL1 (0.47) AAK1L3MBTL1MAP4K4KDM4EALDH1A1
SCHEMBL2225015 0.79 HDAC6 (0.53) KDM4EALDH1A1MAPTMEN1LMNA
SCHEMBL1353440 0.73 L3MBTL1 (0.77) L3MBTL1MAP4K4KDM4EALDH1A1MAPT
SCHEMBL22442378 0.72 MGLL (0.51) HDAC4HDAC1HDAC7HDAC8HDAC5
SCHEMBL23894429 0.72 S1PR1 (0.53) AAK1L3MBTL1MEN1KMT2AHPGDS
SCHEMBL8292975 0.71 RAB9A (0.49) AAK1L3MBTL1MAPTMEN1LMNA
SCHEMBL1669421 0.70 HPGDS (0.57) L3MBTL1MEN1KMT2AHPGDSHDAC1

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 AAK1 1/4885L3MBTL1 2439/4885MAP4K4 117/4885

“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.