SCHEMBL3354773

SCHEMBL3354773

Oc1ncnc2oc(-c3ccccc3)nc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADK P55263 8/20 0.51
IKBKB O14920 2/20 0.43
CHUK O15111 1/20 0.43
CDK2 P24941 1/20 0.43
BTK Q06187 1/20 0.43
ITK Q08881 1/20 0.43
IKBKE Q14164 1/20 0.43
SMN1; SMN2 Q16637 5/20 0.39
RAB9A P51151 5/20 0.39
NPC1 O15118 4/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
RCE1 Q9Y256 1/20 0.38
CASP3 P42574 2/20 0.37

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
SCHEMBL783019 0.80 ADK (0.51) ADKIKBKBCHUKCDK2BTK
SCHEMBL26499893 0.80 ADK (0.51) ADKIKBKBCHUKCDK2BTK
SCHEMBL26104845 0.80 ADK (0.54) ADKIKBKBCHUKCDK2BTK
SCHEMBL4785726 0.69 ELANE (0.30) ELANE
SCHEMBL22104485 0.69 ESR1 (0.36) SMN1; SMN2RAB9ANPC1MEN1ALDH1A1
SCHEMBL2364162 0.69 NPC1 (0.54) IKBKBSMN1; SMN2RAB9ANPC1MEN1
SCHEMBL14355880 0.68 ADK (0.52) ADKSMN1; SMN2RAB9ANPC1MEN1
SCHEMBL2903900 0.67 USP1 (0.47) IKBKBSMN1; SMN2RAB9ANPC1MEN1
SCHEMBL17281514 0.66 RCE1 (0.56) SMN1; SMN2RAB9ANPC1MEN1ALDH1A1
SCHEMBL7738122 0.66 KDM4E (0.56) SMN1; SMN2RAB9ANPC1CASP3SENP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9006252-B2 Fused multicyclic compounds as protein kinase inhibitors NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2015-04-14 US disclosed
EP-2331530-B1 FUSED MULTICYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS NAT HEALTH RESEARCH INSTITUTES (CN) 2013-08-21 EP disclosed
US-20100081675-A1 FUSED MULTICYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2010-04-01 US disclosed
WO-2008057402-A2 N-ARYL-ISOXAZOLOPYRIMIDIN-4-AMINES AND RELATED COMPOUNDS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2008-05-15 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-20100081675-A1 FUSED MULTICYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS AURKC, AURKA, AURKB ADK 175/4885IKBKB 188/4885CHUK 18/4885

“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.