Sugi Predict

Sugi Predict / Compounds / SCHEMBL2805252

SCHEMBL2805252

SCHEMBL2805252

c1nc2[nH]ncc2c2c1CCc1nc(N3CCC(N4CCOCC4)CC3)ncc1-2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 5/20 0.37
▸ PIK3CA P42336 3/20 0.37
▸ PIK3CB P42338 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ IRAK4 Q9NWZ3 4/20 0.35
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ JAK1 P23458 1/20 0.33
▸ EHMT2 Q96KQ7 1/20 0.33
▸ EHMT1 Q9H9B1 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ AKT2 P31751 1/20 0.33
▸ CDK4 P11802 1/20 0.33
▸ CDK6 Q00534 1/20 0.33
▸ PIK3R1 P27986 1/20 0.33
▸ PIK3CG P48736 1/20 0.33
▸ CDK2 P24941 1/20 0.32
▸ FLT3 P36888 1/20 0.32
▸ CCNA1 P78396 1/20 0.32
▸ MAPK8 P45983 1/20 0.32

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
SCHEMBL2802873 0.90 PIK3CA (0.45) PIK3CDPIK3CAPIK3CBALDH1A1HTR2A
SCHEMBL2802930 0.82 HTR2A (0.37) PIK3CDPIK3CAPIK3CBALDH1A1HTR2A
SCHEMBL2808293 0.78 MAPT (0.41) PIK3CDPIK3CAPIK3CBALDH1A1HTR2A
SCHEMBL2803930 0.74 ALDH1A1 (0.48) ALDH1A1KMT2A
SCHEMBL2803986 0.74 LMNA (0.57) ALDH1A1HTR2AHTR2C
SCHEMBL2804363 0.72 CCNA2 (0.48) HTR2AJAK1KMT2ACDK2CCNA1
SCHEMBL2802641 0.71 MAPT (0.53) ALDH1A1HTR2AHTR2CJAK1
SCHEMBL2804099 0.70 CCNA2 (0.43) HTR2AKMT2ACDK4CDK2CCNA1
SCHEMBL2510584 0.69 CDK2 (0.41) ALDH1A1CDK2
SCHEMBL19465572 0.69 PIK3CD (0.76) PIK3CDPIK3CAPIK3CBIRAK4JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263610-B2 Substituted imidazolyl-5,6-dihydrobenzo[N]isoquinoline compounds ARQULE, INC. (US) 2012-09-11 — — US disclosed
US-8263610-B2 Substituted imidazolyl-5,6-dihydrobenzo[N]isoquinoline compounds ARQULE, INC. (US) 2012-09-11 — — US disclosed
US-8263610-B2 Substituted imidazolyl-5,6-dihydrobenzo[N]isoquinoline compounds ARQULE, INC. (US) 2012-09-11 — — US disclosed
US-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 — — US disclosed
US-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 — — US disclosed
US-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 — — US disclosed
WO-2010078427-A1 SUBSTITUTED PYRAZOLO [3, 4-B] PYRIDINE COMPOUNDS ARQULE, INC. (US) 2010-07-08 — — 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-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS NQO1, IDH3B, IDH1 PIK3CD 359/4885PIK3CA 188/4885PIK3CB 221/4885

“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.