Sugi Predict

Sugi Predict / Compounds / SCHEMBL18346293

SCHEMBL18346293

SCHEMBL18346293

O=C(Nc1cccc(Nc2nc(Nc3cnc4c(ccn4S(=O)(=O)c4ccccc4)c3)c3sccc3n2)c1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 2/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ LRRK2 Q5S007 1/20 0.37
▸ MEN1 O00255 5/20 0.36
▸ KMT2A Q03164 5/20 0.36
▸ POLB P06746 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ RET P07949 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ ABCG2 Q9UNQ0 1/20 0.35
▸ CYP11B1 P15538 1/20 0.35
▸ CYP11B2 P19099 1/20 0.35
▸ PIN1 Q13526 3/20 0.35
▸ THRB P10828 1/20 0.35
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CCNT1 O60563 1/20 0.34
▸ CCNE1 P24864 1/20 0.34

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
SCHEMBL18346272 0.91 IRAK4 (0.41) IRAK4JAK3LRRK2KDRCCNT1
SCHEMBL18346335 0.90 MEN1 (0.36) MEN1KMT2APOLBMAPTLMNA
SCHEMBL18346354 0.88 ABCB11 (0.38) JAK3MEN1KMT2APOLBMAPT
SCHEMBL20211543 0.85 JAK3 (0.42) JAK3LRRK2
SCHEMBL20211542 0.85 JAK3 (0.42) JAK3LRRK2
SCHEMBL20225395 0.83 CDK7 (0.48) JAK3CCNT1CDK2CDK9
SCHEMBL20211540 0.82 SYK (0.43) IRAK4JAK3KDR
SCHEMBL18346281 0.82 IRAK4 (0.41) IRAK4JAK3RETKDRCDK2
SCHEMBL18346280 0.81 ABL1 (0.41) IRAK4JAK3LRRK2RETKDR
SCHEMBL18345868 0.80 IRAK4 (0.38) IRAK4JAK3LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10342798-B2 Fused bicyclic pyrimidine derivatives and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-07-09 — — US disclosed
US-20180369243-A9 FUSED BICYCLIC PYRIMIDINE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-12-27 — — US disclosed
US-20180153894-A1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-06-07 — — US disclosed
US-20180153894-A1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-06-07 — — US disclosed
EP-3313529-A1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES AND USES THEREOF Dana Farber Cancer Institute, Inc. (US) 2018-05-02 — — EP disclosed
WO-2016210291-A1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-12-29 — — 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 (3 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-20180369243-A9 FUSED BICYCLIC PYRIMIDINE DERIVATIVES AND USES THEREOF CDK3, CDK14, CDK1 IRAK4 482/4885JAK3 178/4885LRRK2 3597/4885
US-10342798-B2 Fused bicyclic pyrimidine derivatives and uses thereof CDK3, CDK14, CDK1 IRAK4 482/4885JAK3 178/4885LRRK2 3597/4885
US-20180153894-A1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES AND USES THEREOF CDK3, CDK14, CDK1 IRAK4 482/4885JAK3 178/4885LRRK2 3597/4885

“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.