SCHEMBL520610

SCHEMBL520610

Nc1ccc(Cl)c(CN2CCOCC2)c1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2A13 Q16696 8/20 0.61
MAPT P10636 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
GAA P10253 1/20 0.53
BCL2L1 Q07817 1/20 0.52
ALDH1A1 P00352 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CYP2C9 P11712 1/20 0.49
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ACHE P22303 2/20 0.47
KDM4E B2RXH2 1/20 0.47
SIGMAR1 Q99720 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
METAP2 P50579 1/20 0.44

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
SCHEMBL4264928 0.87 CYP2A13 (0.71) CYP2A13MAPTSMN1; SMN2GAAALDH1A1
SCHEMBL30900092 0.87 CYP2A13 (0.71) CYP2A13MAPTSMN1; SMN2GAAALDH1A1
SCHEMBL13861951 0.85 ACHE (0.65) MAPTSMN1; SMN2BCL2L1ALDH1A1TDP1
SCHEMBL15065984 0.83 ACHE (0.63) MAPTSMN1; SMN2BCL2L1ALDH1A1TDP1
SCHEMBL6268368 0.83 CYP2C9 (0.51) CYP2A13MAPTSMN1; SMN2GAAALDH1A1
Hydrochloric Acid SCHEMBL6273897 0.82 ACHE (0.51) CYP2A13MAPTSMN1; SMN2GAAALDH1A1
SCHEMBL922653 0.81 ACHE (0.73) CYP2A13MAPTGAAALDH1A1TDP1
SCHEMBL12569577 0.81 CYP2A13 (0.61) CYP2A13MAPTSMN1; SMN2GAATDP1
SCHEMBL15687883 0.81 ALDH1A1 (0.54) MAPTSMN1; SMN2GAABCL2L1ALDH1A1
SCHEMBL22538108 0.81 CYP2C9 (0.49) CYP2A13MAPTSMN1; SMN2GAAALDH1A1

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
EP-2970303-B3 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES INC (US) 2018-08-01 EP disclosed
EP-2376491-B1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON INC (US) 2015-03-04 EP disclosed
US-8471005-B2 Pyrrolotriazines as ALK and JAK2 inhibitors CEPHALON, INC. (US) 2013-06-25 US disclosed
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2012-02-02 US disclosed
EP-2376491-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS Cephalon, Inc. (US) 2011-10-19 EP disclosed
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 WO disclosed
US-7531553-B2 Heterocyclic compounds and methods of use AMGEN INC. (US) 2009-05-12 US disclosed
US-7531553-B2 Heterocyclic compounds and methods of use AMGEN INC. (US) 2009-05-12 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-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS JAK2, ALK, ABL1 CYP2A13 3132/4885MAPT 3109/4885SMN1; SMN2 4722/4885

“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.