SCHEMBL3922266

SCHEMBL3922266

CC(=O)NC1CCN(c2nc(Nc3cc(CC(C)C)n[nH]3)n3cccc3n2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
USP2 O75604 2/20 0.39
TSHR P16473 1/20 0.39
PIK3CB P42338 1/20 0.36
KDM5A P29375 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
STK4 Q13043 1/20 0.34
STK3 Q13188 1/20 0.34
LRRK2 Q5S007 1/20 0.34
CKS1B P61024 1/20 0.34
SKP1 P63208 1/20 0.34
SKP2 Q13309 1/20 0.34
KDM4E B2RXH2 2/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SLC2A1 P11166 1/20 0.33
P2RX3 P56373 1/20 0.33
RORC P51449 1/20 0.33

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
SCHEMBL3924301 0.86 PAK4 (0.39) CCNE1CDK2
SCHEMBL3926065 0.85 PIK3CB (0.36) ALDH1A1USP2TSHRPIK3CBSTK4
SCHEMBL3931418 0.83 SUV39H2 (0.34) ALDH1A1USP2TSHRPIK3CBSTK4
SCHEMBL3924580 0.82 LRRK2 (0.40) ALDH1A1USP2TSHRSTK4STK3
SCHEMBL13841040 0.80 JAK2 (0.49)
SCHEMBL3931577 0.78 PDCD1LG2 (0.33)
SCHEMBL3926820 0.76 KDM5B (0.40) STK3KDM4EPOLBMAPTTDP1
SCHEMBL3926786 0.74 CKS1B (0.39) KDM5ACKS1BSKP1SKP2KDM4E
SCHEMBL3933854 0.74 DKK1 (0.43) ALDH1A1TSHRCKS1BSKP1SKP2
SCHEMBL3921414 0.74 CCNE1 (0.32) KDM4EPOLBMAPTTDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2051980-B1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-02-26 EP disclosed
US-7531539-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-05-12 US disclosed
EP-2051980-A1 PYRROLOTRIAZINE KINASE INHIBITORS Brystol-Myers Squibb Company (US) 2009-04-29 EP disclosed
WO-2008021924-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 WO disclosed
US-20080045496-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 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 (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-20080045496-A1 PYRROLOTRIAZINE KINASE INHIBITORS JAK2, NTRK2, NTRK3 ALDH1A1 3191/4885USP2 3610/4885TSHR 744/4885

“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.