SCHEMBL3341697

SCHEMBL3341697

[c]1ncc2c(n1)NCCC2

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NNMT P40261 1/20 0.38
UHRF1 Q96T88 1/20 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
SCHEMBL4141897 0.69 OR51E2 (0.32)
SCHEMBL171558 0.69 NNMT (0.35) NNMTUHRF1
SCHEMBL558013 0.67
SCHEMBL159386 0.67 CDK5 (0.33)
SCHEMBL2073119 0.67 UHRF1 (0.42) NNMTUHRF1
SCHEMBL5761232 0.67 NNMT (0.39) NNMTUHRF1
SCHEMBL29799324 0.67 NNMT (0.50) NNMTUHRF1
SCHEMBL1553765 0.67 NNMT (0.50) NNMTUHRF1
SCHEMBL4148663 0.65 CDK5 (0.32)
SCHEMBL18592832 0.65

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
EP-2527330-A1 Inhibitors of the hedgehog pathway Exelixis, Inc. (US) 2012-11-28 EP claimed
US-20120245139-A1 INHIBITORS OF THE HEDGEHOG PATHWAY EXELIXIS PATENT COMPANY LLC (US) 2012-09-27 US claimed
US-20120238570-A1 INHIBITORS OF THE HEDGEHOG PATHWAY EXELIXIS PATENT COMPANY LLC (US) 2012-09-20 US claimed
US-8222263-B2 Inhibitors of hedgehog pathway EXELIXIS PATENT COMPANY LLC (US) 2012-07-17 US claimed
US-20100152219-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES ASTRAZENECA R&D (SE) 2010-06-17 US claimed
EP-1686999-B1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES ASTRAZENECA AB (SE) 2009-07-01 EP claimed
US-20090105211-A1 INHIBITORS OF HEDGEHOG PATHWAY EXELIXIS, INC. (US) 2009-04-23 US claimed
US-20090005396-A1 Use of Pyrazolyl-Pyrimidine Derivatives in the Treatment of Pain ASTRAZENECA AB (SE) 2009-01-01 US claimed
US-20070142413-A1 Pyrazole derivatives as inhibitors of receptor tyrosone kinases ASTRAZENECA AB (SE) 2007-06-21 US claimed
CN-118252829-A CRF receptor antagonists and methods of use 纽罗克里生物科学有限公司 2024-06-28 CN disclosed
US-20240208907-A1 GPR52 MODULATORS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. 2024-06-27 US disclosed
WO-2024091542-A1 COMPOUNDS AND COMPOSITIONS AS GPR52 MODULATORS NEUROCRINE BIOSCIENCES, INC. (US) 2024-05-02 WO disclosed
WO-2024091541-A1 COMPOUNDS AND COMPOSITIONS AS GPR52 MODULATORS NEUROCRINE BIOSCIENCES, INC. (US) 2024-05-02 WO disclosed
EP-4330232-A1 GPR52 MODULATORS AND METHODS OF USE Neurocrine Biosciences, Inc. (US) 2024-03-06 EP disclosed
US-5026851-A Antineoplastic agents THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1991-06-25 US disclosed
US-4845216-A ANTITUMOR AGENTS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1989-07-04 US disclosed
EP-0215063-A4 PYRIDO (2,3-d )PYRIMIDIN DERIVATIVES. UNIV PRINCETON (US) 1987-11-23 EP disclosed
US-4684653-A ANTITUMOR AGENTS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1987-08-04 US disclosed
EP-0215063-A1 PYRIDO (2,3-d )PYRIMIDIN DERIVATIVES. UNIV PRINCETON (US) 1987-03-25 EP disclosed
WO-1986005181-A1 PYRIDO AD2,3-d BDPYRIMIDIN DERIVATIVES THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1986-09-12 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 (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-20120238570-A1 INHIBITORS OF THE HEDGEHOG PATHWAY SHH, GLI1, SMO NNMT 3450/4885UHRF1 538/4885
US-20100152219-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES LTK, ERBB2, ERBB3 NNMT 1734/4885UHRF1 4082/4885
US-20090105211-A1 INHIBITORS OF HEDGEHOG PATHWAY SHH, GLI1, SMO NNMT 3768/4885UHRF1 679/4885
US-20120245139-A1 INHIBITORS OF THE HEDGEHOG PATHWAY SHH, GLI1, SMO NNMT 3450/4885UHRF1 538/4885
US-20240208907-A1 GPR52 MODULATORS AND METHODS OF USE GPR52, GPR68, GPR35 NNMT 2435/4885UHRF1 4440/4885
US-20070142413-A1 Pyrazole derivatives as inhibitors of receptor tyrosone kinases PRKDC, MUSK, LTK NNMT 1504/4885UHRF1 3531/4885
US-20090005396-A1 Use of Pyrazolyl-Pyrimidine Derivatives in the Treatment of Pain P2RX3, DPYD, TYMP NNMT 280/4885UHRF1 3831/4885

“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.