SCHEMBL13531782

SCHEMBL13531782

CN1CCN(C(=O)c2ccc(Nc3nc(-c4cccc(-n5cnc6cc(C(C)(C)C)ccc6c5=O)c4)cn4ccnc34)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BTK Q06187 4/20 0.52
SYK P43405 8/20 0.52
AURKA O14965 6/20 0.42
JAK2 O60674 1/20 0.41
BRD4 O60885 1/20 0.41
WEE1 P30291 1/20 0.40

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
SCHEMBL3176678 0.93 BTK (0.52) BTKSYKAURKAJAK2
SCHEMBL1542550 0.87 BTK (0.51) BTKSYK
SCHEMBL4811476 0.82 BTK (0.78) BTKSYKAURKA
SCHEMBL4811006 0.79 BTK (0.74) BTKSYKAURKA
SCHEMBL5237944 0.76 BTK (0.60) BTKSYKAURKA
SCHEMBL4810753 0.76 BTK (0.78) BTKSYKAURKA
SCHEMBL4810983 0.76 BTK (0.81) BTKSYKAURKA
SCHEMBL1542317 0.75 BTK (0.50) BTKSYK
SCHEMBL4814294 0.75 BTK (0.78) BTKSYKAURKA
SCHEMBL4814190 0.74 BTK (0.75) BTKSYKAURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016302-A1 7-tert-Butyl-3-(3-{8-[4-(morpholine-4-carbonyl)-phenylamino]-imidazo[1,2-a]pyrazin-6-yl}-phenyl)-3H-quinazolin-4-one; arthritis; inhibit Btk ROCHE PALO ALTO LLC 2010-01-21 US disclosed
US-20100016302-A1 7-tert-Butyl-3-(3-{8-[4-(morpholine-4-carbonyl)-phenylamino]-imidazo[1,2-a]pyrazin-6-yl}-phenyl)-3H-quinazolin-4-one; arthritis; inhibit Btk ROCHE PALO ALTO LLC 2010-01-21 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-20100016302-A1 7-tert-Butyl-3-(3-{8-[4-(morpholine-4-carbonyl)-phenylamino]-imidazo[1,2-a]pyrazin-6-yl}-phenyl)-3H-quinazolin-4-one; arthritis; inhibit Btk BTK, LCK, LYN BTK 1/4885SYK 5/4885AURKA 1148/4885

“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.