Sugi Predict

Sugi Predict / Compounds / SCHEMBL430630

SCHEMBL430630

SCHEMBL430630

CC(=O)c1cnc2ccc(Cl)nn12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 3/20 0.50
▸ ADORA2A P29274 1/20 0.47
▸ DYRK1A Q13627 11/20 0.47
▸ DYRK2 Q92630 11/20 0.47
▸ DYRK1B Q9Y463 10/20 0.47
▸ DYRK3 O43781 9/20 0.47
▸ CDK5 Q00535 7/20 0.47
▸ CDK5R1 Q15078 7/20 0.47
▸ CCNA2 P20248 6/20 0.47
▸ CDK2 P24941 6/20 0.47
▸ CCNT1 O60563 4/20 0.47
▸ CDK9 P50750 4/20 0.47
▸ MKNK1 Q9BUB5 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ FYN P06241 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ RAB9A P51151 1/20 0.39

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
SCHEMBL12850753 0.85 TNF (0.51) TNFADORA2ADYRK1ADYRK2DYRK1B
SCHEMBL12850754 0.85 TNF (0.51) TNFADORA2ADYRK1ADYRK2DYRK1B
SCHEMBL20987130 0.83 DYRK1A (0.47) TNFADORA2ADYRK1ADYRK2DYRK1B
SCHEMBL16531904 0.83 TNF (0.54) TNFADORA2ADYRK1ADYRK2DYRK1B
SCHEMBL15254975 0.83 TNF (0.47) TNFADORA2ADYRK1ADYRK2DYRK1B
SCHEMBL16947087 0.83 TNF (0.47) TNFADORA2ADYRK1ADYRK2DYRK1B
SCHEMBL12873406 0.81 CYP1A2 (0.47) KDM4EALDH1A1SMN1; SMN2FYNNPC1
SCHEMBL15255013 0.80 TNF (0.50) TNFDYRK1ADYRK2DYRK1BDYRK3
SCHEMBL21637221 0.80 TNF (0.47) TNFADORA2ADYRK1ADYRK2DYRK1B
SCHEMBL1204316 0.80 TNF (0.47) TNFADORA2ADYRK1ADYRK2DYRK1B

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
WO-2020141439-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2020-07-09 — — WO disclosed
WO-2020141439-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2020-07-09 — — WO disclosed
US-20200206233-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2020-07-02 — — US disclosed
US-20200206233-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2020-07-02 — — US disclosed
US-20170334929-A1 DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES Turning Point Therapeutics, Inc. 2017-11-23 — — US disclosed
US-9714258-B2 Diaryl macrocycles as modulators of protein kinases TP THERAPEUTICS, INC. (US) 2017-07-25 — — US disclosed
US-20170002023-A1 DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES TP THERAPEUTICS, INC. (US) 2017-01-05 — — US disclosed
US-8637516-B2 Compounds and compositions as TRK inhibitors IRM LLC (BM) 2014-01-28 — — US disclosed
US-8507676-B2 Heterocyclic oxime compounds NOVARTIS AG (CH) 2013-08-13 — — US disclosed
US-8507676-B2 Heterocyclic oxime compounds NOVARTIS AG (CH) 2013-08-13 — — US disclosed
WO-2011018454-A1 HETEROCYCLIC HYDRAZONE COMPOUNDS AND THEIR USES TO TREAT CANCER AND INFLAMMATION NOVARTIS AG (CH) 2011-02-17 — — WO disclosed
WO-2011018454-A1 HETEROCYCLIC HYDRAZONE COMPOUNDS AND THEIR USES TO TREAT CANCER AND INFLAMMATION NOVARTIS AG (CH) 2011-02-17 — — WO disclosed
US-20110039831-A1 3-HETEROARYLMETHYL-IMIDAZO[1,2-B]PYRIDAZIN-6-YL DERIVATIVES NOVARTIS AG (CH) 2011-02-17 — — US disclosed
US-20110039831-A1 3-HETEROARYLMETHYL-IMIDAZO[1,2-B]PYRIDAZIN-6-YL DERIVATIVES NOVARTIS AG (CH) 2011-02-17 — — US disclosed
EP-1261607-B1 2,4-DISUBSTITUTED THIAZOLYL DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2008-11-12 — — EP disclosed
US-20060211704-A1 2,4-Disubstituted thiazolyl derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2006-09-21 — — US disclosed
US-7105550-B2 2,4-disubstituted thiazolyl derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2006-09-12 — — US disclosed
US-20030203897-A1 2,4-Disubstituted thiazolyl derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2003-10-30 — — US disclosed
EP-1261607-A1 2,4-DISUBSTITUTED THIAZOLYL DERIVATIVES Janssen Pharmaceutica N.V. (BE) 2002-12-04 — — EP disclosed
WO-2001064674-A1 2,4-DISUBSTITUTED THIAZOLYL DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2001-09-07 — — 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 (6 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-20200206233-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS IDH1, IDH2, IDH3A TNF 3164/4885ADORA2A 4455/4885DYRK1A 3573/4885
US-20060211704-A1 2,4-Disubstituted thiazolyl derivatives IL4, PTGER4, PTGER3 TNF 202/4885ADORA2A 1734/4885DYRK1A 2347/4885
US-20030203897-A1 2,4-Disubstituted thiazolyl derivatives IL4, PTGER4, PTGER1 TNF 133/4885ADORA2A 1506/4885DYRK1A 3232/4885
US-20170334929-A1 DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES MAP3K20, LCK, MAP3K1 TNF 1607/4885ADORA2A 1956/4885DYRK1A 521/4885
US-20110039831-A1 3-HETEROARYLMETHYL-IMIDAZO[1,2-B]PYRIDAZIN-6-YL DERIVATIVES MET, ERBB2, ABL1 TNF 3827/4885ADORA2A 1942/4885DYRK1A 292/4885
US-20170002023-A1 DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES MAP3K20, LCK, MAP3K1 TNF 1607/4885ADORA2A 1956/4885DYRK1A 521/4885

“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.