SCHEMBL1301897

SCHEMBL1301897

Cc1nc(C#N)c(-c2ccccc2N)n1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
LMNA P02545 2/20 0.38
ALDH1A1 P00352 6/20 0.36
KDM4E B2RXH2 4/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
GAA P10253 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
USP8 P40818 3/20 0.36
DYRK1A Q13627 2/20 0.35
ALOX15 P16050 1/20 0.35
USP7 Q93009 1/20 0.34
USP47 Q96K76 1/20 0.34
ADORA2A P29274 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL1233435 0.70 USP8 (0.35) MAPTLMNAALDH1A1KDM4EL3MBTL1
SCHEMBL1302060 0.69 PKM (0.33) MAPTLMNAALDH1A1KDM4EL3MBTL1
SCHEMBL4372551 0.66 ALDH1A1 (0.42) LMNAALDH1A1KDM4EL3MBTL1GAA
SCHEMBL221991 0.65 MAPT (0.63) MAPTLMNAALDH1A1KDM4EGAA
SCHEMBL8469984 0.65 KDM5A (0.33)
SCHEMBL1233552 0.64 CYP11B2 (0.36) MAPTLMNAALDH1A1KDM4EL3MBTL1
SCHEMBL12849485 0.63 KDM4E (0.32) ALDH1A1KDM4EGAAHPGDHSD17B10
SCHEMBL12006859 0.63 ALDH1A1 (0.59) MAPTLMNAALDH1A1KDM4EL3MBTL1
SCHEMBL11572709 0.62 ALDH1A1 (0.49) MAPTALDH1A1KDM4EL3MBTL1GAA
SCHEMBL28858358 0.62 TSHR (0.53) LMNAALDH1A1L3MBTL1MEN1KMT2A

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-8168802-B2 Ring closing and related methods and intermediates 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-05-01 US disclosed
US-8168802-B2 Ring closing and related methods and intermediates 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-05-01 US disclosed
US-8168802-B2 Ring closing and related methods and intermediates 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-05-01 US disclosed
US-20110269965-A1 Ring Closing and Related Methods and Intermediates COLEY PHARMACEUTICAL GROUP, INC. (US) 2011-11-03 US disclosed
US-20110269965-A1 Ring Closing and Related Methods and Intermediates COLEY PHARMACEUTICAL GROUP, INC. (US) 2011-11-03 US disclosed
US-20110269965-A1 Ring Closing and Related Methods and Intermediates COLEY PHARMACEUTICAL GROUP, INC. (US) 2011-11-03 US disclosed
EP-1863770-A2 RING CLOSING AND RELATED METHODS AND INTERMEDIATES Coley Pharmaceutical Group, Inc. (US) 2007-12-12 EP disclosed
WO-2006121528-A2 RING CLOSING AND RELATED METHODS AND INTERMEDIATES COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-11-16 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-20110269965-A1 Ring Closing and Related Methods and Intermediates CYP11B1, CYP11B2, CYP2F1 MAPT 3245/4885LMNA 774/4885ALDH1A1 420/4885

“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.