Sugi Predict

Sugi Predict / Compounds / SCHEMBL441279

SCHEMBL441279

SCHEMBL441279

CN1C(=O)c2cc(N)c([N+](=O)[O-])cc2C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.47
▸ MPI P34949 1/20 0.47
▸ TSHR P16473 2/20 0.44
▸ HSP90AA1 P07900 1/20 0.44
▸ CDK5 Q00535 1/20 0.44
▸ CDK5R1 Q15078 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ MAPT P10636 11/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ POLB P06746 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ MCL1 Q07820 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ SIRT6 Q8N6T7 1/20 0.42
▸ LMNA P02545 2/20 0.42

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
SCHEMBL452426 0.81 CYP1A2 (0.44) TDP1MPITSHRHSP90AA1CDK5
SCHEMBL773947 0.79 HSP90AA1 (0.40) TDP1MPITSHRHSP90AA1CDK5
SCHEMBL773625 0.79 FTO (0.50) TDP1MPITSHRHSP90AA1CDK5
SCHEMBL441633 0.79 PABPC1 (0.50) HSP90AA1CDK5CDK5R1MAPTMEN1
SCHEMBL441605 0.79 CA12 (0.47) TSHRMAPTALDH1A1CYP3A4LMNA
SCHEMBL441644 0.78 MEN1 (0.47) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL787009 0.78 TDP1 (0.50) TDP1MPITSHRHSP90AA1CDK5
SCHEMBL438741 0.78 TDP1 (0.50) TDP1MPITSHRHSP90AA1CDK5
SCHEMBL30577139 0.78 TDP1 (0.50) TDP1MPITSHRHSP90AA1CDK5
SCHEMBL10339388 0.77 ALDH1A1 (0.58) TDP1TSHRHSP90AA1CDK5CDK5R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9290503-B2 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2016-03-22 — — US disclosed
US-9273055-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2016-03-01 — — US disclosed
US-9273055-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2016-03-01 — — US disclosed
US-9273055-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2016-03-01 — — US disclosed
US-9126178-B2 Heat-expandable microspheres and a method of making heat-expandable microspheres and application thereof MATSUMOTO YUSHI-SEIYAKU CO., LTD. (JP) 2015-09-08 — — US disclosed
US-20150038536-A1 TYROSINE KINASE INHIBITORS CHEMBRIDGE COPRPORATION 2015-02-05 — — US disclosed
US-20150038536-A1 TYROSINE KINASE INHIBITORS CHEMBRIDGE COPRPORATION 2015-02-05 — — US disclosed
US-20150038536-A1 TYROSINE KINASE INHIBITORS CHEMBRIDGE COPRPORATION 2015-02-05 — — US disclosed
US-8822500-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2014-09-02 — — US disclosed
US-8822500-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2014-09-02 — — US disclosed
US-8822500-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2014-09-02 — — US disclosed
US-20140228350-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS CHEMBRIDGE CORPORATION (US) 2014-08-14 — — US disclosed
EP-2529830-A2 Heat-expandable microspheres and a method of making heat-expandable microspheres and application thereof MATSUMOTO YUSHI-SEIYAKU CO., LTD. (JP) 2012-12-05 — — EP disclosed
EP-2441814-A1 HEAT-EXPANDABLE MICROSPHERE, METHOD FOR PRODUCING SAME AND USE OF SAME Matsumoto Yushi-Seiyaku Co., Ltd. (JP) 2012-04-18 — — EP disclosed
WO-2012037155-A2 TYROSINE KINASE INHIBITORS GTX, INC. (US) 2012-03-22 — — WO disclosed
US-20120071473-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS CHEMBRIDGE CORPORATION 2012-03-22 — — US disclosed
US-20120065233-A1 TYROSINE KINASE INHIBITORS GREGOR VLAD EDWARD (US) 2012-03-15 — — US disclosed
US-20120065233-A1 TYROSINE KINASE INHIBITORS GREGOR VLAD EDWARD (US) 2012-03-15 — — US disclosed
US-20120065233-A1 TYROSINE KINASE INHIBITORS GREGOR VLAD EDWARD (US) 2012-03-15 — — US disclosed
US-20120064347-A1 HEAT-EXPANDABLE MICROSPHERES AND A METHOD OF MAKING HEAT-EXPANDABLE MICROSPHERES AND APPLICATION THEREOF MATSUMOTO YUSHI-SEIYAKU CO., LTD. (JP) 2012-03-15 — — 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 (4 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-20120071473-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS MALT1, TPMT, TSLP TDP1 376/4885MPI 1735/4885TSHR 3298/4885
US-20150038536-A1 TYROSINE KINASE INHIBITORS ALK, ROS1, ABL1 TDP1 282/4885MPI 2192/4885TSHR 2262/4885
US-20140228350-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS MALT1, TPMT, TSLP TDP1 376/4885MPI 1735/4885TSHR 3298/4885
US-20120065233-A1 TYROSINE KINASE INHIBITORS ALK, ROS1, ABL1 TDP1 282/4885MPI 2192/4885TSHR 2262/4885

“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.