SCHEMBL4288310

SCHEMBL4288310

Cc1cc(F)ccc1NN

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
SIGMAR1 Q99720 1/20 0.42
MAPT P10636 4/20 0.41
LMNA P02545 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTT P42858 2/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 1/20 0.40
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36

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
Hydrochloric Acid SCHEMBL1811188 0.98 ALDH1A1 (0.41) ALDH1A1SIGMAR1MAPTLMNAMEN1
SCHEMBL6886 0.82 MAPT (0.43) ALDH1A1MAPTLMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL837448 0.80 MAPT (0.42) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL854924 0.79 ALDH1A1 (0.44) ALDH1A1SIGMAR1MAPTLMNAMEN1
SCHEMBL854923 0.77 ALDH1A1 (0.42) ALDH1A1SIGMAR1MAPTLMNAMEN1
SCHEMBL21844929 0.77 ALDH1A1 (0.42) ALDH1A1SIGMAR1MAPTLMNAMEN1
SCHEMBL11421284 0.77 ALDH1A1 (0.44) ALDH1A1SIGMAR1MAPTLMNAMEN1
SCHEMBL8064140 0.77 ALDH1A1 (0.44) ALDH1A1SIGMAR1MAPTLMNAMEN1
SCHEMBL18331948 0.77 HTR2A (0.44) LMNA
SCHEMBL1010790 0.76 RAPGEF4 (0.56) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3807266-B1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2023-10-25 EP disclosed
CN-112585128-B Pyrazole derivatives as MALT1 inhibitors 詹森药业有限公司 2023-02-21 CN disclosed
US-11040031-B2 Pyrazole derivatives as MALT1 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2021-06-22 US disclosed
EP-3807266-A1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS Janssen Pharmaceutica N.V. (BE) 2021-04-21 EP disclosed
CN-112585128-A Pyrazole derivatives as MALT1 inhibitors 詹森药业有限公司 2021-03-30 CN disclosed
WO-2019243964-A1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 WO disclosed
EP-2691393-B1 NOVEL BICYCLIC PYRIDINONES PFIZER (US) 2016-09-14 EP disclosed
US-9067934-B2 Bicyclic pyridinones PFIZER INC. (US) 2015-06-30 US disclosed
US-8697673-B2 Bicyclic pyridinones PFIZER INC. (US) 2014-04-15 US disclosed
US-20140045790-A1 Novel Bicyclic Pyridinones PFIZER INC. (US) 2014-02-13 US disclosed
WO-2012131539-A1 NOVEL BICYCLIC PYRIDINONES PFIZER INC. (US) 2012-10-04 WO disclosed
US-20120252758-A1 Novel Bicyclic Pyridinones PFIZER INC. 2012-10-04 US disclosed
US-20110015193-A1 1, 5-DIHYDRO-PYRAZOLO (3, 4-D) PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A MUDULATORS FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-20 US disclosed
US-20110015193-A1 1, 5-DIHYDRO-PYRAZOLO (3, 4-D) PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A MUDULATORS FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-20 US disclosed
US-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 US disclosed
WO-2009068617-A1 1, 5-DIHYDRO-PYRAZOLO (3, 4-D) PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A MODULATORS FOR THE TEATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-04 WO disclosed
EP-1971596-A2 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS MINERALOCORTICOID RECEPTOR LIGANDS Takeda Pharmaceutical Company Limited (JP) 2008-09-24 EP disclosed
WO-2007077961-A2 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS MINERALOCORTICOID RECEPTOR LIGANDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-12 WO disclosed
US-4448961-A Substituted anilino pyrimidines ZOECON CORPORATION (US) 1984-05-15 US disclosed
US-4411839-A α-Cyano-β-(trisubstituted phenylhydrazino)-n-ethoxycarbonylacrylamides ZOECON CORPORATION (US) 1983-10-25 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 (5 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-11040031-B2 Pyrazole derivatives as MALT1 inhibitors MALT1, PPP3R1, SQSTM1 ALDH1A1 2534/4885SIGMAR1 3289/4885MAPT 2311/4885
US-20110015193-A1 1, 5-DIHYDRO-PYRAZOLO (3, 4-D) PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A MUDULATORS FOR THE TREATMENT OF CNS DISORDERS PDE9A, PDE7A, PDE1C ALDH1A1 127/4885SIGMAR1 433/4885MAPT 3117/4885
US-20140045790-A1 Novel Bicyclic Pyridinones CYP2B6, CYP2C19, CYP2D6 ALDH1A1 268/4885SIGMAR1 1853/4885MAPT 2099/4885
US-20120252758-A1 Novel Bicyclic Pyridinones CYP2B6, CYP2C19, CYP2D6 ALDH1A1 268/4885SIGMAR1 1853/4885MAPT 2099/4885
US-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands NR3C2, NR3C1, MC2R ALDH1A1 2708/4885SIGMAR1 862/4885MAPT 4442/4885

“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.