Sugi Predict

Sugi Predict / Compounds / SCHEMBL7899809

SCHEMBL7899809

SCHEMBL7899809

CC(=O)Nc1noc2ccc(Br)cc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.58
▸ HTT P42858 1/20 0.58
▸ DYRK1A Q13627 3/20 0.50
▸ SMN1; SMN2 Q16637 6/20 0.43
▸ MAPT P10636 4/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ KMT2A Q03164 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ EGFR P00533 2/20 0.41
▸ RAB9A P51151 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ STK17B O94768 1/20 0.40
▸ TP53 P04637 4/20 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
SCHEMBL7893833 0.88 DYRK1A (0.54) ALDH1A1HTTDYRK1ASMN1; SMN2MAPT
SCHEMBL2144487 0.86 ALDH1A1 (0.46) ALDH1A1HTTSMN1; SMN2MAPTKMT2A
SCHEMBL18727404 0.83 MAPT (0.52) SMN1; SMN2MAPTKMT2APOLBRAB9A
Cyclopropane SCHEMBL2444392 0.82 STK17B (0.44) ALDH1A1HTTSMN1; SMN2MAPTKMT2A
SCHEMBL2145260 0.81 ALDH1A1 (0.42) ALDH1A1HTTSMN1; SMN2MAPTKMT2A
SCHEMBL2442414 0.81 TP53 (0.51) ALDH1A1HTTSMN1; SMN2MAPTKMT2A
SCHEMBL2439437 0.80 ALDH1A1 (0.41) ALDH1A1HTTDYRK1ASMN1; SMN2MAPT
SCHEMBL7893158 0.79 TP53 (0.40) ALDH1A1HTTDYRK1ASMN1; SMN2MAPT
SCHEMBL29954146 0.79 TP53 (0.40) ALDH1A1HTTDYRK1ASMN1; SMN2MAPT
SCHEMBL7901168 0.79 HTT (0.40) ALDH1A1HTTSMN1; SMN2MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170209448-A1 TREATMENT REGIMENS USING MULTIPLE PHARMACEUTICAL AGENTS INTELLIKINE LLC 2017-07-27 — — US disclosed
US-20170209448-A1 TREATMENT REGIMENS USING MULTIPLE PHARMACEUTICAL AGENTS INTELLIKINE LLC 2017-07-27 — — US disclosed
US-9669032-B2 Enhanced treatment regimens using mTOR inhibitors INTELLIKINE LLC (US) 2017-06-06 — — US disclosed
US-9669032-B2 Enhanced treatment regimens using mTOR inhibitors INTELLIKINE LLC (US) 2017-06-06 — — US disclosed
EP-2705181-B1 COMBINATION PHARMACEUTICAL COMPOSITIONS AND USES THEREOF INTELLIKINE LLC (US) 2016-12-21 — — EP disclosed
US-20160287595-A1 Combination Pharmaceutical Compositions and Uses Thereof CALITHERA BIOSCIENCES, INC. 2016-10-06 — — US disclosed
US-20160287596-A1 Benzoxazole Kinase Inhibitors and Methods of Use FAETH THERAPEUTICS, INC. 2016-10-06 — — US disclosed
US-20160287596-A1 Benzoxazole Kinase Inhibitors and Methods of Use FAETH THERAPEUTICS, INC. 2016-10-06 — — US disclosed
US-20160287595-A1 Combination Pharmaceutical Compositions and Uses Thereof CALITHERA BIOSCIENCES, INC. 2016-10-06 — — US disclosed
US-20160287597-A1 Treatment Regimens Using Multiple Pharmaceutical Agents INTELLIKINE LLC 2016-10-06 — — US disclosed
WO-2013078440-A2 ENHANCED TREATMENT REGIMENS USING MTOR INHIBITORS INTELLIKINE, LLC (US) 2013-05-30 — — WO disclosed
US-8450480-B2 — — 2013-05-28 — — US disclosed
US-8450480-B2 — — 2013-05-28 — — US disclosed
US-8450329-B2 — — 2013-05-28 — — US disclosed
US-8450329-B2 — — 2013-05-28 — — US disclosed
WO-2013070976-A1 TREATMENT REGIMENS USING MULTIPLE PHARMACEUTICAL AGENTS INTELLIKINE, LLC (US) 2013-05-16 — — WO disclosed
US-20120294930-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF INTELLIKINE LLC (US) 2012-11-22 — — US disclosed
US-20100190749-A1 Benzoxazole kinase inhibitors and methods of use FAETH THERAPEUTICS, INC. 2010-07-29 — — US disclosed
US-20100190749-A1 Benzoxazole kinase inhibitors and methods of use FAETH THERAPEUTICS, INC. 2010-07-29 — — US disclosed
US-20100184760-A1 Benzoxazole kinase inhibitors and methods of use FAETH THERAPEUTICS, INC. 2010-07-22 — — 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 (7 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-20160287596-A1 Benzoxazole Kinase Inhibitors and Methods of Use BMX, MTOR, PDPK1 ALDH1A1 4042/4885HTT 3635/4885DYRK1A 703/4885
US-20100184760-A1 Benzoxazole kinase inhibitors and methods of use BMX, MTOR, PDPK1 ALDH1A1 4042/4885HTT 3635/4885DYRK1A 703/4885
US-20160287595-A1 Combination Pharmaceutical Compositions and Uses Thereof CDC25C, CCNC, CDC25B ALDH1A1 2340/4885HTT 2858/4885DYRK1A 1424/4885
US-20100190749-A1 Benzoxazole kinase inhibitors and methods of use BMX, MTOR, PDPK1 ALDH1A1 4042/4885HTT 3635/4885DYRK1A 703/4885
US-20170209448-A1 TREATMENT REGIMENS USING MULTIPLE PHARMACEUTICAL AGENTS MPL, MTX2, SLC10A1 ALDH1A1 1326/4885HTT 933/4885DYRK1A 3965/4885
US-20160287597-A1 Treatment Regimens Using Multiple Pharmaceutical Agents MPL, MTX2, SLC10A1 ALDH1A1 1326/4885HTT 933/4885DYRK1A 3965/4885
US-20120294930-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF MTOR, AKT2, MTMR1 ALDH1A1 4563/4885HTT 985/4885DYRK1A 1072/4885

“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.