SCHEMBL434468

SCHEMBL434468

Clc1ccc2ncnn2n1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TNF P01375 1/20 0.36
DYRK1A Q13627 7/20 0.36
DYRK2 Q92630 7/20 0.36
DYRK1B Q9Y463 6/20 0.33
CCNA2 P20248 5/20 0.33
CDK2 P24941 5/20 0.33
CDK5 Q00535 5/20 0.33
CDK5R1 Q15078 5/20 0.33
EGLN2 Q96KS0 5/20 0.33
DYRK3 O43781 4/20 0.33
CCNT1 O60563 2/20 0.33
CDK9 P50750 2/20 0.33

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
SCHEMBL30224716 0.83 EGLN2 (0.32) KDM4EALDH1A1SMN1; SMN2EGLN2
SCHEMBL10490611 0.69 DYRK3 (0.37) KDM4EALDH1A1SMN1; SMN2DYRK1ADYRK2
SCHEMBL24782856 0.69 FYN (0.41) EGLN2
SCHEMBL23034388 0.69 HTT (0.31) DYRK1AEGLN2
SCHEMBL10490728 0.69 DYRK1A (0.40) KDM4EDYRK1ADYRK2DYRK1BCCNA2
SCHEMBL24783510 0.66 ADRA2A (0.37) KDM4EALDH1A1SMN1; SMN2EGLN2
SCHEMBL6618351 0.65 CHRM5 (0.40) EGLN2
SCHEMBL11783762 0.65 HTT (0.49) KDM4EALDH1A1SMN1; SMN2TNFDYRK1A
SCHEMBL6620739 0.64 KDM4E (0.39) KDM4EALDH1A1SMN1; SMN2TNF
SCHEMBL31553137 0.64 KDM4E (0.39) KDM4EALDH1A1SMN1; SMN2TNFDYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12110294-B2 CD73 compounds GILEAD SCIENCES, INC. (US) 2024-10-08 US disclosed
US-20230039553-A1 CD73 COMPOUNDS GILEAD SCIENCES, INC. 2023-02-09 US disclosed
EP-2903978-B1 GDF-8 INHIBITORS RIGEL PHARMACEUTICALS INC (US) 2022-12-07 EP disclosed
WO-2021058595-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2021-04-01 WO disclosed
WO-2021058595-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2021-04-01 WO disclosed
US-10858335-B2 2,3-Disubstituted pyridine compounds as TGF-β inhibitors and methods of use RIGEL PHARMACEUTICALS, INC. (US) 2020-12-08 US disclosed
US-10858335-B2 2,3-Disubstituted pyridine compounds as TGF-β inhibitors and methods of use RIGEL PHARMACEUTICALS, INC. (US) 2020-12-08 US disclosed
US-20190284155-A1 2,3-Disubstituted Pyridine Compounds as TGF-Beta Inhibitors and Methods of Use RIGEL PHARMACEUTICALS, INC. (US) 2019-09-19 US disclosed
US-20190284155-A1 2,3-Disubstituted Pyridine Compounds as TGF-Beta Inhibitors and Methods of Use RIGEL PHARMACEUTICALS, INC. (US) 2019-09-19 US disclosed
EP-3129367-B1 2,3-DISUBSTITUTED PYRIDINE COMPOUNDS AS TGF-BETA INHIBITORS RIGEL PHARMACEUTICALS INC (US) 2019-09-04 EP disclosed
US-6248740-B1 FOR SUPPRESSION OF HISTAMINE OR EOSINOPHIL CHEMOTAXIS TO TREAT ASTHMA; ANTIALLERGENIC TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-19 US disclosed
EP-0979231-A1 CONDENSED PYRIDAZINE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 2000-02-16 EP disclosed
EP-0562439-B1 Triazolopyridazines as antioasthmatics TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-06-09 EP disclosed
WO-1998049167-A1 CONDENSED PYRIDAZINE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-11-05 WO disclosed
US-5482939-A ANTI-PLATELET ACTIVATING FACTOR ACTIVITIES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-01-09 US disclosed
US-5389633-A ANTIASTHMATIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-02-14 US disclosed
EP-0562439-A1 Triazolopyridazines as antioasthmatics TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-09-29 EP disclosed
US-4826834-A BACTERICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-05-02 US disclosed
EP-0229369-A2 Cephalosporins, process for their preparation and pharmaceutical compositions containing them Takeda Chemical Industries, Ltd. (JP) 1987-07-22 EP disclosed
EP-0216385-A2 Antibacterial compounds Takeda Chemical Industries, Ltd. (JP) 1987-04-01 EP 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-20230039553-A1 CD73 COMPOUNDS ENTPD5, ENTPD1, NT5E KDM4E 944/4885ALDH1A1 347/4885SMN1; SMN2 3774/4885
US-12110294-B2 CD73 compounds ENTPD5, ENTPD1, NT5E KDM4E 1125/4885ALDH1A1 138/4885SMN1; SMN2 3453/4885
US-10858335-B2 2,3-Disubstituted pyridine compounds as TGF-β inhibitors and methods of use SMAD3, TGFBR1, TGFBR2 KDM4E 984/4885ALDH1A1 2008/4885SMN1; SMN2 3883/4885
US-20190284155-A1 2,3-Disubstituted Pyridine Compounds as TGF-Beta Inhibitors and Methods of Use TGFBR2, ACVR1, TGFBR1 KDM4E 1322/4885ALDH1A1 1958/4885SMN1; SMN2 3803/4885

“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.