SCHEMBL675719

SCHEMBL675719

c1cc(-c2ccc3[nH]c4nc(-c5ccc(CN6CCOCC6)cc5)ccc4c3c2)ccc1CN1CCOCC1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.57
CHEK1 O14757 7/20 0.53
ACHE P22303 3/20 0.53
HRH3 Q9Y5N1 2/20 0.51
TLR8 Q9NR97 1/20 0.48
TLR7 Q9NYK1 1/20 0.48
CDK7 P50613 1/20 0.46
MAPKAPK2 P49137 1/20 0.46
MAPT P10636 2/20 0.46
CSF1R P07333 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
PARP1 P09874 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ATM Q13315 1/20 0.45

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
SCHEMBL3662982 0.89 JAK2 (0.57) JAK2CHEK1ACHEHRH3TLR8
SCHEMBL3727833 0.82 JAK2 (0.50) JAK2CHEK1ACHEHRH3TLR8
SCHEMBL678879 0.81 JAK2 (0.49) JAK2CHEK1ACHEHRH3TLR8
SCHEMBL675875 0.81 JAK2 (0.52) JAK2CHEK1ACHEHRH3TLR8
SCHEMBL676050 0.80 KDM4E (0.48) JAK2HDAC3HDAC1HDAC2HDAC8
SCHEMBL676204 0.80 CHEK1 (0.67) JAK2CHEK1ACHEHRH3CSF1R
SCHEMBL676493 0.79 JAK2 (0.49) JAK2CHEK1ACHEHRH3TLR8
SCHEMBL675874 0.79 JAK2 (0.49) JAK2CHEK1ACHEHRH3TLR8
SCHEMBL675877 0.79 JAK2 (0.49) JAK2CHEK1ACHEHRH3TLR8
SCHEMBL675460 0.79 JAK2 (0.49) JAK2CHEK1ACHEHRH3TLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895744-B2 Alfa-carboline inhibitors of NPM-ALK, RET, and Bcr-Abl UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2014-11-25 US disclosed
US-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO - BICOCCA (IT) 2011-11-17 US disclosed
EP-2161271-A1 Alpha-carboline inhibitors of NMP-ALK, RET, and Bcr-Abl Università Degli Studi Di Milano - Bicocca (IT) 2010-03-10 EP 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-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL ALK, BCR, NPM1 JAK2 201/4885CHEK1 1744/4885ACHE 2545/4885

“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.