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SCHEMBL2804889

SCHEMBL2804889

CN(C(=O)C1(NC(=O)c2cncnc2)CC1)c1ccc(Nc2ccccc2C(F)(F)F)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK9 P45984 2/20 0.36
▸ MAPK10 P53779 2/20 0.36
▸ BDKRB1 P46663 3/20 0.35
▸ AURKA O14965 1/20 0.35
▸ RAB9A P51151 1/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ BRAF P15056 1/20 0.34
▸ PTK2 Q05397 2/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ NTRK1 P04629 1/20 0.33
▸ TYK2 P29597 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ PTK2B Q14289 1/20 0.33
▸ NTRK3 Q16288 1/20 0.33
▸ NTRK2 Q16620 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
SCHEMBL2805743 0.90 BDKRB1 (0.34) MAPK9MAPK10BDKRB1HDAC3HDAC1
SCHEMBL185223 0.90 FAAH (0.35) MAPK9MAPK10AURKARAB9ATAS2R14
SCHEMBL2805105 0.90 BDKRB1 (0.34) MAPK9MAPK10BDKRB1AURKAHDAC3
SCHEMBL2806524 0.89 BRAF (0.38) MAPK9MAPK10BDKRB1BRAFDHODH
SCHEMBL2809231 0.89 DHODH (0.35) MAPK9MAPK10BDKRB1BRAFPTK2
SCHEMBL2809360 0.88 BDKRB1 (0.33) MAPK9MAPK10BDKRB1HDAC3HDAC1
SCHEMBL2808764 0.88 CNR2 (0.38) MAPK9MAPK10BDKRB1RAB9ABRAF
SCHEMBL2809213 0.87 JAK1 (0.34) BDKRB1HDAC3HDAC1HDAC2HDAC6
SCHEMBL2811232 0.87 BRAF (0.36) BDKRB1HDAC3HDAC1HDAC2HDAC6
SCHEMBL2804955 0.87 PIK3CA (0.36) MAPK10BDKRB1HDAC3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130131075-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-23 — — US disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 — — US disclosed
US-20100240677-A1 Compounds as PDE IV and TNF Inhibitors AVENTIS PHARMA LIMITED (GB) 2010-09-23 — — US disclosed
EP-0711282-B1 COMPOUNDS AS PDE IV AND TNF INHIBITORS AVENTIS PHARMA LTD (GB) 2002-06-05 — — EP disclosed
EP-0711282-A1 COMPOUNDS AS PDE IV AND TNF INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1996-05-15 — — EP disclosed
WO-1995004045-A1 COMPOUNDS AS PDE IV AND TNF INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1995-02-09 — — 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 (3 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-20130131075-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 MAPK9 2738/4885MAPK10 1714/4885BDKRB1 289/4885
US-20100240677-A1 Compounds as PDE IV and TNF Inhibitors PDE4A, PDE4B, PDE7A MAPK9 621/4885MAPK10 1001/4885BDKRB1 1368/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 MAPK9 2738/4885MAPK10 1714/4885BDKRB1 289/4885

“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.