SCHEMBL18159715

SCHEMBL18159715

CC(C)N1CCC(c2nnn[nH]2)CC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.38
PARP2 Q9UGN5 1/20 0.38
HRH3 Q9Y5N1 4/20 0.35
HTR4 Q13639 4/20 0.32
TLR9 Q9NR96 3/20 0.31
TLR8 Q9NR97 3/20 0.31
TLR7 Q9NYK1 3/20 0.31
KCNH2 Q12809 1/20 0.31
ALDH1A1 P00352 1/20 0.31
WHR1 P49842 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
SCHEMBL14514511 0.82
SCHEMBL12258869 0.81 PARP1 (0.42) PARP1PARP2TLR9TLR8TLR7
SCHEMBL9910973 0.80 DRD4 (0.35) PARP1
SCHEMBL16906814 0.76 HRH3 (0.36) PARP1HRH3TLR9TLR7ALDH1A1
SCHEMBL15448160 0.76
SCHEMBL16887634 0.73 PARP1 (0.42) PARP1KCNH2ALDH1A1
SCHEMBL7856962 0.73
SCHEMBL2335166 0.73 ALDH1A1 (0.38) ALDH1A1
SCHEMBL18925951 0.72 HRH3 (0.48) HRH3KCNH2ALDH1A1
SCHEMBL10407881 0.71 PARP1 (0.40) PARP1PARP2TLR9TLR8TLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3929203-A1 DERIVATIVES OF AMPHOTERICIN B Sfunga Therapeutics, Inc. (US) 2021-12-29 EP disclosed
US-10882883-B2 Derivatives of amphotericin B SFUNGA THERAPEUTICS, INC. (US) 2021-01-05 US disclosed
US-20200262858-A1 DERIVATIVES OF AMPHOTERICIN B ELION THERAPEUTICS, INC. 2020-08-20 US disclosed
US-20200190095-A1 PYRIMIDO-PYRIDAZINONE COMPOUNDS AND METHODS OF USE THEREOF ABS DEVELOPMENT 1, INC. 2020-06-18 US disclosed
US-20200039943-A1 COMPOUNDS, DEVICES, AND USES THEREOF SIGILON THERAPEUTICS, INC. 2020-02-06 US disclosed
US-20190256494-A1 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2019-08-22 US disclosed
US-10188654-B2 Uses of pyrimido-pyridazinones to treat cancer ASANA BIOSCIENCES, LLC (US) 2019-01-29 US disclosed
US-10183944-B2 Pyrimido-pyridazinone compounds and methods of use thereof ASANA BIOSCIENCES, LLC (US) 2019-01-22 US disclosed
US-9957290-B2 Derivatives of amphotericin B SFUNGA THERAPEUTICS, INC. (US) 2018-05-01 US disclosed
US-9957290-B2 Derivatives of amphotericin B SFUNGA THERAPEUTICS, INC. (US) 2018-05-01 US disclosed
US-20170157126-A1 USES OF PYRIMIDO-PYRIDAZINONES TO TREAT CANCER ASANA BIOSCIENCES, LLC (US) 2017-06-08 US disclosed
US-20170157126-A1 USES OF PYRIMIDO-PYRIDAZINONES TO TREAT CANCER ASANA BIOSCIENCES, LLC (US) 2017-06-08 US disclosed
WO-2016168568-A1 DERIVATIVES OF AMPHOTERICIN B Revolution Medicines, Inc. (US) 2016-10-20 WO disclosed
US-20160304548-A1 Derivatives of Amphotericin B ELION THERAPEUTICS, INC. 2016-10-20 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 (9 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-10183944-B2 Pyrimido-pyridazinone compounds and methods of use thereof THPO, TYMP, TYMS PARP1 237/4885PARP2 443/4885HRH3 866/4885
US-20200039943-A1 COMPOUNDS, DEVICES, AND USES THEREOF SLC10A1, SLCO1B3, SLC5A1 PARP1 4804/4885PARP2 4860/4885HRH3 816/4885
US-20160304548-A1 Derivatives of Amphotericin B C9, ERG28, AMPD3 PARP1 3099/4885PARP2 3545/4885HRH3 653/4885
US-10188654-B2 Uses of pyrimido-pyridazinones to treat cancer MKI67, DPYD, TYMP PARP1 1868/4885PARP2 1989/4885HRH3 2015/4885
US-20170157126-A1 USES OF PYRIMIDO-PYRIDAZINONES TO TREAT CANCER MKI67, DPYD, TYMP PARP1 1868/4885PARP2 1989/4885HRH3 2015/4885
US-10882883-B2 Derivatives of amphotericin B C9, ERG28, AMPD3 PARP1 3099/4885PARP2 3545/4885HRH3 653/4885
US-20200190095-A1 PYRIMIDO-PYRIDAZINONE COMPOUNDS AND METHODS OF USE THEREOF THPO, TYMP, TYMS PARP1 237/4885PARP2 443/4885HRH3 866/4885
US-20190256494-A1 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME ABHD6, ABHD16A, RABL6 PARP1 4316/4885PARP2 3998/4885HRH3 926/4885
US-20200262858-A1 DERIVATIVES OF AMPHOTERICIN B C9, ERG28, AMPD3 PARP1 3099/4885PARP2 3545/4885HRH3 653/4885

“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.