SCHEMBL2961828

SCHEMBL2961828

O=c1cc(-c2ccccc2)c(C(F)(F)F)n[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.47
CYP1A2 P05177 2/20 0.44
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
JAK3 P52333 1/20 0.42
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
AKR1B1 P15121 1/20 0.41
METAP2 P50579 1/20 0.41
ABCC8 Q09428 1/20 0.41
KCNJ11 Q14654 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP2C9 P11712 1/20 0.41
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
PABPC1 P11940 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL2963420 0.87 ENPP1 (0.41) PDE3BPDE3AAKR1B1MEN1MAPT
SCHEMBL2354501 0.81 GSTP1 (0.57) HPGDALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL2474844 0.76 HPGD (0.70) HPGDCYP1A2JAK2JAK1TYK2
SCHEMBL10615525 0.75 NR1H2 (0.49) HPGDCYP1A2ALDH1A1KDM4ECYP2C9
SCHEMBL11142813 0.75 HPGD (0.58) HPGDCYP1A2AKR1B1ABCC8KCNJ11
SCHEMBL8482163 0.73 JAK2 (0.53) HPGDCYP1A2JAK2JAK1TYK2
SCHEMBL11633962 0.73 ENPP1 (0.42) CYP1A2METAP2ABCC8KCNJ11ALDH1A1
SCHEMBL2476874 0.73 HPGD (0.61) HPGDCYP1A2JAK2JAK1TYK2
SCHEMBL8632466 0.73 ENPP1 (0.42) CYP1A2METAP2ABCC8KCNJ11ALDH1A1
SCHEMBL7381700 0.72 PDE3B (0.78) HPGDCYP1A2PDE3BPDE3AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9422296-B2 Fast-dissociating dopamine 2 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2016-08-23 US disclosed
US-9422296-B2 Fast-dissociating dopamine 2 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2016-08-23 US disclosed
US-9422296-B2 Fast-dissociating dopamine 2 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2016-08-23 US disclosed
US-20140336381-A1 FAST-DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2014-11-13 US disclosed
US-20140336381-A1 FAST-DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2014-11-13 US disclosed
US-20140336381-A1 FAST-DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2014-11-13 US disclosed
US-8791120-B2 Fast-dissociating dopamine 2 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2014-07-29 US disclosed
US-8791120-B2 Fast-dissociating dopamine 2 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2014-07-29 US disclosed
US-8791120-B2 Fast-dissociating dopamine 2 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2014-07-29 US disclosed
CN-101605764-B Fast dissociating dopamine 2 receptor antagonists JANSSEN PHARMACEUTICA NV 2013-06-19 CN disclosed
EP-2121630-B1 FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2012-08-01 EP disclosed
US-20100069394-A1 FAST-DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA, NV (BE) 2010-03-18 US disclosed
US-20100069394-A1 FAST-DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA, NV (BE) 2010-03-18 US disclosed
US-20100069394-A1 FAST-DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA, NV (BE) 2010-03-18 US disclosed
CN-101605764-A Fast dissociating dopamine 2 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2009-12-16 CN disclosed
EP-2121630-A1 FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2009-11-25 EP disclosed
WO-2008098892-A1 FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-21 WO disclosed
WO-2008098892-A1 FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-21 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 (2 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-20140336381-A1 FAST-DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS DRD2, GRIN2C, GRIN2A HPGD 2186/4885CYP1A2 632/4885JAK2 1516/4885
US-20100069394-A1 FAST-DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS DRD2, GRIN2C, GRIN2A HPGD 2186/4885CYP1A2 632/4885JAK2 1516/4885

“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.