SCHEMBL1021994

SCHEMBL1021994

Cc1cc(CN2CCC(N(C)c3ccc(Cl)nn3)CC2)sc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.40
ALDH1A1 P00352 2/20 0.35
PIK3CD O00329 5/20 0.35
SCN8A Q9UQD0 4/20 0.34
SCN1A P35498 3/20 0.34
CXCR3 P49682 4/20 0.34
SLC2A1 P11166 1/20 0.33
TNKS O95271 1/20 0.32
PARP1 P09874 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
OPRM1 P35372 1/20 0.32
GMNN O75496 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
DRD2 P14416 1/20 0.31
HPGD P15428 1/20 0.31
DRD4 P21917 1/20 0.31

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
SCHEMBL1023234 0.81 KDM4E (0.46) JAK2ALDH1A1CXCR3SLC2A1GMNN
SCHEMBL1022272 0.81 JAK2 (0.41) JAK2ALDH1A1SCN8ASCN1ACXCR3
SCHEMBL5001516 0.80 JAK2 (0.41) JAK2ALDH1A1SCN8ASCN1ACXCR3
SCHEMBL1020864 0.79 OPRM1 (0.44) JAK2SCN8ASCN1AOPRM1TP53
SCHEMBL4997273 0.78 DRD2 (0.49) JAK2ALDH1A1SLC2A1OPRM1GMNN
SCHEMBL1022731 0.77 OPRM1 (0.45) JAK2ALDH1A1SCN8ASCN1ACXCR3
SCHEMBL1021257 0.77 SCN1A (0.44) JAK2ALDH1A1SCN8ASCN1ACXCR3
SCHEMBL5005077 0.76 MAP4K4 (0.43) JAK2ALDH1A1SCN8ASCN1ASLC2A1
SCHEMBL5001584 0.76 JAK2 (0.41) JAK2ALDH1A1SCN8ASCN1ACXCR3
SCHEMBL1020794 0.75 SCN1A (0.44) JAK2SCN8ASCN1ACXCR3OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9751860-B2 Piperidin-4YL-pyridazin-3-ylamine derivatives as fast dissociating dopamine 2 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2017-09-05 US disclosed
US-20170022181-A1 FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS DE BRUYN MARCEL FRANS LEOPOLD (BE) 2017-01-26 US disclosed
US-9468640-B2 Piperidin-4-yl-pyridazin-3-ylamine derivatives as fast dissociating dopamine 2 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2016-10-18 US disclosed
US-20150141432-A1 PIPERIDIN-4-YL-PYRIDAZIN-3-YLAMINE DERIVATIVES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2015-05-21 US disclosed
US-8940743-B2 Piperidin-4-yl-pyridazin-3-ylamine derivatives as fast dissociating dopamine 2 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2015-01-27 US disclosed
EP-1943242-B1 PIPERIDIN-4-YL-PYRIDAZIN-3-YLAMINE DERIVATIVES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2011-01-12 EP disclosed
US-20080227791-A1 treating or preventing central nervous system disorders, for example schizophrenia, by exerting an antipsychotic effect without motor side effects; N-[1-(4-fluorobenzyl)piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine JANSSEN PHARMACEUTICA N.V. (BE) 2008-09-18 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 (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-20170022181-A1 FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS DRD2, GRIN2A, GRIN2C JAK2 2291/4885ALDH1A1 2166/4885PIK3CD 1930/4885
US-20080227791-A1 treating or preventing central nervous system disorders, for example schizophrenia, by exerting an antipsychotic effect without motor side effects; N-[1-(4-fluorobenzyl)piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine GRIN2C, GRIN2A, GRIN3A JAK2 1834/4885ALDH1A1 1819/4885PIK3CD 2069/4885
US-20150141432-A1 PIPERIDIN-4-YL-PYRIDAZIN-3-YLAMINE DERIVATIVES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS DRD2, GRIN2C, GRIN2A JAK2 1290/4885ALDH1A1 1949/4885PIK3CD 1127/4885

“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.