SCHEMBL1410448

SCHEMBL1410448

O=C1CC(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CN1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 12/20 0.45
PDE4B Q07343 6/20 0.45
PDE4C Q08493 6/20 0.45
PDE4D Q08499 6/20 0.45
TSHR P16473 2/20 0.45
ALDH1A1 P00352 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 1/20 0.45
PKM P14618 1/20 0.42
GAA P10253 1/20 0.41
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CYP3A4 P08684 2/20 0.38
MAPK1 P28482 2/20 0.38
VEGFA P15692 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38
CREBBP Q92793 1/20 0.38

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
SCHEMBL18051413 0.89 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL24007592 0.89 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL8352445 0.86 TSHR (0.53) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL1269261 0.84 HTR2C (0.55) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL16799485 0.84 HTR2C (0.55) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL24007588 0.79 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL19996026 0.77 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL18640884 0.77 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL21053510 0.77 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL8224520 0.75 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240376114-A1 NUCLEAR TRANSPORT MODULATORS AND USES THEREOF WILMINGTON SAVINGS FUND SOCIETY, FSB, AS AGENT 2024-11-14 US disclosed
US-20220056038-A1 NUCLEAR TRANSPORT MODULATORS AND USES THEREOF KARYOPHARM THERAPEUTICS INC (US) 2022-02-24 US disclosed
US-20200087313-A1 NUCLEAR TRANSPORT MODULATORS AND USES THEREOF Karyopharm Therapeutics Inc. 2020-03-19 US disclosed
EP-2736883-B1 NUCLEAR TRANSPORT MODULATORS AND USES THEREOF KARYOPHARM THERAPEUTICS INC (US) 2019-09-04 EP disclosed
EP-2736883-B1 NUCLEAR TRANSPORT MODULATORS AND USES THEREOF KARYOPHARM THERAPEUTICS INC (US) 2019-09-04 EP disclosed
US-20170137430-A1 Nuclear Transport Modulators And Uses Thereof KARYOPHARM THERAPEUTICS INC (US) 2017-05-18 US disclosed
US-20170137430-A1 Nuclear Transport Modulators And Uses Thereof KARYOPHARM THERAPEUTICS INC (US) 2017-05-18 US disclosed
US-9428490-B2 Nuclear transport modulators and uses thereof Karyopharm Therapeutics Inc. (US) 2016-08-30 US disclosed
US-9428490-B2 Nuclear transport modulators and uses thereof Karyopharm Therapeutics Inc. (US) 2016-08-30 US disclosed
EP-2736883-A1 NUCLEAR TRANSPORT MODULATORS AND USES THEREOF Karyopharm Therapeutics, Inc. (US) 2014-06-04 EP disclosed
EP-2295406-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL (JP) 2014-04-23 EP disclosed
WO-2013019561-A1 NUCLEAR TRANSPORT MODULATORS AND USES THEREOF KARYOPHARM THERAPEUTICS, INC. (US) 2013-02-07 WO disclosed
WO-2013019561-A1 NUCLEAR TRANSPORT MODULATORS AND USES THEREOF KARYOPHARM THERAPEUTICS, INC. (US) 2013-02-07 WO disclosed
US-8338622-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-25 US disclosed
US-20110251187-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-13 US disclosed
EP-2295406-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-03-16 EP 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-20240376114-A1 NUCLEAR TRANSPORT MODULATORS AND USES THEREOF XPO1, XPO5, XPOT PDE4A 2619/4885PDE4B 2933/4885PDE4C 3295/4885
US-20170137430-A1 Nuclear Transport Modulators And Uses Thereof XPO1, XPO5, XPOT PDE4A 2619/4885PDE4B 2933/4885PDE4C 3295/4885
US-20110251187-A1 HETEROCYCLIC COMPOUND NES, BMI1, DOT1L PDE4A 1651/4885PDE4B 935/4885PDE4C 783/4885
US-20200087313-A1 NUCLEAR TRANSPORT MODULATORS AND USES THEREOF XPO1, XPO5, XPOT PDE4A 2619/4885PDE4B 2933/4885PDE4C 3295/4885
US-20220056038-A1 NUCLEAR TRANSPORT MODULATORS AND USES THEREOF XPO1, XPO5, XPOT PDE4A 2619/4885PDE4B 2933/4885PDE4C 3295/4885

“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.