Sugi Predict

Sugi Predict / Compounds / SCHEMBL512461

SCHEMBL512461

SCHEMBL512461

COc1cc(N)ccc1-c1cnn(C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 1/20 0.52
▸ AXL P30530 2/20 0.48
▸ IMPDH2 P12268 1/20 0.48
▸ IMPDH1 P20839 1/20 0.48
▸ USP30 Q70CQ3 4/20 0.47
▸ TTK P33981 3/20 0.46
▸ CCNA2 P20248 1/20 0.45
▸ CDK2 P24941 1/20 0.45
▸ LRRK2 Q5S007 2/20 0.45
▸ PLAU P00749 1/20 0.44
▸ ERN1 O75460 1/20 0.43
▸ SMARCA2 P51531 1/20 0.43
▸ SMARCA4 P51532 1/20 0.43
▸ LOXL2 Q9Y4K0 2/20 0.42
▸ PSEN1 P49768 1/20 0.41
▸ PSEN2 P49810 1/20 0.41
▸ APH1B Q8WW43 1/20 0.41
▸ NCSTN Q92542 1/20 0.41
▸ APH1A Q96BI3 1/20 0.41
▸ PSENEN Q9NZ42 1/20 0.41

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
SCHEMBL29877325 1.00 AAK1 (0.52) AAK1AXLIMPDH2IMPDH1USP30
SCHEMBL12936053 0.84 LRRK2 (0.45) AAK1AXLTTKCCNA2CDK2
SCHEMBL30018994 0.84 MKNK1 (0.47) AAK1AXLTTKLRRK2PLAU
SCHEMBL19998607 0.83 AAK1 (0.50) AAK1USP30TTKCCNA2CDK2
SCHEMBL30609169 0.80 PLAU (0.45) AAK1USP30TTKLRRK2PLAU
SCHEMBL20765130 0.80 PLAU (0.45) AAK1USP30TTKLRRK2PLAU
SCHEMBL12936324 0.80 ALOX5AP (0.42) AAK1AXLUSP30TTKLRRK2
SCHEMBL1814407 0.80 LRRK2 (0.51) AXLTTKLRRK2SMARCA2SMARCA4
SCHEMBL15742808 0.79 ALDH1A1 (0.46) AAK1IMPDH2IMPDH1USP30
SCHEMBL2625724 0.78 ALOX5AP (0.54) AXLUSP30TTKCCNA2CDK2

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 75 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228502-A1 2-PHENYLAMINO PYRROLOPYRIMIDINES AS ACK1 INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2024-07-11 — — US disclosed
WO-2022226290-A1 2-PHENYLAMINO PYRROLOPYRIMIDINES AS ACK1 INHIBITORS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2022-10-27 — — WO disclosed
EP-3523304-B1 BICYCLIC HETEROARYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2021-01-27 — — EP disclosed
US-10647721-B2 Bicyclic heteroaryl derivatives HOFFMANN-LA ROCHE INC. (US) 2020-05-12 — — US disclosed
US-20190233427-A1 BICYCLIC HETEROARYL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-08-01 — — US disclosed
EP-2958919-B1 DIHYDROPTERIDINONES I BOEHRINGER INGELHEIM INT (DE) 2019-05-22 — — EP disclosed
US-9771378-B2 Fused morpholinopyrimidines and methods of use thereof DENALI THERAPEUTICS, INC. (US) 2017-09-26 — — US disclosed
US-9771378-B2 Fused morpholinopyrimidines and methods of use thereof DENALI THERAPEUTICS, INC. (US) 2017-09-26 — — US disclosed
EP-2668168-B1 COMPOUNDS FOR THE REDUCTION OF ß-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2017-03-01 — — EP disclosed
EP-2668168-B1 COMPOUNDS FOR THE REDUCTION OF ß-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2017-03-01 — — EP disclosed
WO-2011014535-A1 COMPOUNDS FOR THE REDUCTION OF β-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-03 — — WO disclosed
US-20110015175-A1 Bicyclic Compounds for the Reduction of Beta-Amyloid Production BRISTOL-MYERS SQUIBB COMPANY 2011-01-20 — — US disclosed
EP-2257541-A1 MODULATORS FOR AMYLOID BETA F. Hoffmann-La Roche AG (CH) 2010-12-08 — — EP disclosed
WO-2010089292-A1 NOVEL SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS GAMMA SECRETASE MODULATORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2010-08-12 — — WO disclosed
WO-2010083141-A1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-22 — — WO disclosed
WO-2010007756-A1 PYRIDINE DERIVATIVE HAVING TTK INHIBITION ACTIVITY 塩野義製薬株式会社 (JP) 2010-01-21 — — WO disclosed
US-20090215759-A1 MODULATORS FOR AMYLOID BETA HOFFMANN-LA ROCHE, INC. 2009-08-27 — — US disclosed
WO-2009103652-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-08-27 — — WO disclosed
WO-2008137102-A2 METHODS OF MODULATING AMYLOID BETA AND COMPOUNDS USEFUL THEREFOR TORREYPINES THERAPEUTICS, INC. (US) 2008-11-13 — — WO disclosed
WO-2008137102-A2 METHODS OF MODULATING AMYLOID BETA AND COMPOUNDS USEFUL THEREFOR TORREYPINES THERAPEUTICS, INC. (US) 2008-11-13 — — 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 (5 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-20240228502-A1 2-PHENYLAMINO PYRROLOPYRIMIDINES AS ACK1 INHIBITORS ADCK1, DCK, TNKS2 AAK1 8/4885AXL 4242/4885IMPDH2 808/4885
US-20190233427-A1 BICYCLIC HETEROARYL DERIVATIVES HUWE1, CDR2, DBH AAK1 4139/4885AXL 3829/4885IMPDH2 1802/4885
US-20090215759-A1 MODULATORS FOR AMYLOID BETA APP, PSEN1, APOB AAK1 3298/4885AXL 4637/4885IMPDH2 1397/4885
US-20110015175-A1 Bicyclic Compounds for the Reduction of Beta-Amyloid Production APP, BACE1, APBA1 AAK1 837/4885AXL 4869/4885IMPDH2 3308/4885
US-10647721-B2 Bicyclic heteroaryl derivatives HUWE1, CDR2, DBH AAK1 4139/4885AXL 3829/4885IMPDH2 1802/4885

“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.