SCHEMBL992858

SCHEMBL992858

CCCC[Sn](CCCC)(CCCC)c1[nH]ncc1F

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL13735577 0.89
SCHEMBL16034757 0.78 AR (0.33)
SCHEMBL996750 0.68 LOXL2 (0.31)
SCHEMBL19204839 0.66
SCHEMBL20359481 0.66 ALDH1A1 (0.33) ALDH1A1
SCHEMBL18760053 0.65
SCHEMBL17584302 0.64
SCHEMBL994930 0.63 LOXL2 (0.42) CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2644102 0.63
SCHEMBL31694531 0.63

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10323032-B2 P2X7 Modulators JANSSEN PHARMACEUTICA NV (BE) 2019-06-18 US disclosed
EP-2861579-B9 BENZAMIDE DERIVATIVES FOR INHIBITING THE ACTIVITY OF ABL1, ABL2 AND BCR-ABL1 NOVARTIS AG (CH) 2018-08-29 EP disclosed
US-20180134695-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF ABL1, ABL2 AND BCR-ABL1 NOVARTIS AG (CH) 2018-05-17 US disclosed
EP-3321266-A1 P2X7 MODULATORS Janssen Pharmaceutica NV (BE) 2018-05-16 EP disclosed
US-20180072724-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-03-15 US disclosed
EP-3112366-B1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-02-28 EP disclosed
EP-2861579-B1 BENZAMIDE DERIVATIVES FOR INHIBITING THE ACTIVITY OF ABL1, ABL2 AND BCR-ABL1 NOVARTIS AG (CH) 2018-02-21 EP disclosed
US-9896444-B2 Benzamide derivatives for inhibiting the activity of ABL1, ABL2 and BCR-ABL1 NOVARTIS AG (CH) 2018-02-20 US disclosed
EP-2861576-B1 BENZAMIDE DERIVATIVES FOR INHIBITING THE ACTIVITY OF ABL1, ABL2 AND BCR-ABL1 NOVARTIS AG (CH) 2018-01-10 EP disclosed
EP-2970271-B1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2017-11-08 EP disclosed
WO-2014152589-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-09-25 WO disclosed
US-20140275120-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-09-18 US disclosed
US-8829195-B2 Compounds and compositions for inhibiting the activity of ABL1, ABL2 and BCR-ABL1 NOVARTIS AG (CH) 2014-09-09 US disclosed
US-8648201-B2 Aminopyridine derivatives for treating tumors and inflammatory diseases MERCK PATENT GMBH (DE) 2014-02-11 US disclosed
WO-2013171639-A1 BENZAMIDE DERIVATIVES FOR INHIBITING THE ACTIVITY OF ABL1, ABL2 AND BCR-ABL1 NOVARTIS AG (CH) 2013-11-21 WO disclosed
US-20130310395-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF ABL1, ABL2 AND BCR-ABL1 NOVARTIS AG (CH) 2013-11-21 US disclosed
WO-2013171642-A1 BENZAMIDE DERIVATIVES FOR INHIBITING THE ACTIVITY OF ABL1, ABL2 AND BCR-ABL1 NOVARTIS AG (CH) 2013-11-21 WO disclosed
EP-2454253-A1 AMINOPYRIDINE DERIVATIVES FOR TREATING TUMORS AND INFLAMMATORY DISEASES Merck Patent GmbH (DE) 2012-05-23 EP disclosed
US-20120115861-A1 AMINOPYRIDINE DERIVATIVES FOR TREATING TUMORS AND INFLAMMATORY DISEASES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-05-10 US disclosed
WO-2011006567-A1 AMINOPYRIDINE DERIVATIVES FOR TREATING TUMORS AND INFLAMMATORY DISEASES MERCK PATENT GMBH (DE) 2011-01-20 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 (6 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-10323032-B2 P2X7 Modulators P2RX7, P2RX1, P2RX3 ALDH1A1 1245/4885CYP3A4 714/4885CYP2D6 550/4885
US-20140275120-A1 P2X7 MODULATORS P2RX7, P2RX1, P2RX3 ALDH1A1 1351/4885CYP3A4 642/4885CYP2D6 496/4885
US-20120115861-A1 AMINOPYRIDINE DERIVATIVES FOR TREATING TUMORS AND INFLAMMATORY DISEASES PDK1, PDK2, PDK4 ALDH1A1 1341/4885CYP3A4 2520/4885CYP2D6 3099/4885
US-20130310395-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF ABL1, ABL2 AND BCR-ABL1 ABL1, ABL2, BCR ALDH1A1 1602/4885CYP3A4 2284/4885CYP2D6 1651/4885
US-20180134695-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF ABL1, ABL2 AND BCR-ABL1 ABL1, ABL2, BCR ALDH1A1 1181/4885CYP3A4 1541/4885CYP2D6 1447/4885
US-20180072724-A1 P2X7 MODULATORS P2RX7, P2RX1, P2RX3 ALDH1A1 1245/4885CYP3A4 714/4885CYP2D6 550/4885

“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.