SCHEMBL14728604

SCHEMBL14728604

CCN1CCN(CCn2cc(C)cn2)CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM1A O60341 1/20 0.36
KMT2A Q03164 4/20 0.35
MEN1 O00255 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
GAA P10253 2/20 0.34
POLB P06746 1/20 0.34
TP53 P04637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
CHRNA7 P36544 1/20 0.33
ALPI P09923 1/20 0.33
ALPG P10696 1/20 0.33
PLAA Q9Y263 1/20 0.33

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
SCHEMBL12285332 0.88 NOS3 (0.38) LMNAHTTSMN1; SMN2KDM1AKMT2A
SCHEMBL11946810 0.86 HRH3 (0.42) LMNAHTTSMN1; SMN2KMT2ASIGMAR1
SCHEMBL20376673 0.85 LMNA (0.35) ALDH1A1LMNAHTTSMN1; SMN2KMT2A
SCHEMBL17793165 0.84 HRH3 (0.41) LMNAHTTSMN1; SMN2SIGMAR1
SCHEMBL6937374 0.83 JAK2 (0.41) LMNAPOLB
SCHEMBL15150088 0.82 IGF1R (0.37) ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL20376326 0.81 KDM1A (0.36) HTTKDM1AKMT2ASIGMAR1L3MBTL1
SCHEMBL17076772 0.81 MAPT (0.41) ALDH1A1LMNASMN1; SMN2KDM1AKMT2A
SCHEMBL15721240 0.81 FGFR3 (0.41) ALDH1A1LMNAHTTSMN1; SMN2KDM1A
SCHEMBL19446234 0.80 ACHE (0.41) ALDH1A1KMT2AMEN1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4327886-A2 PYRIMIDO- PYRIDAZINONE COMPOUNDS AND USE THEREOF Libertas Bio, Inc. (US) 2024-02-28 EP disclosed
EP-3392252-B1 PYRIMIDO- PYRIDAZINONE COMPOUNDS AND USE THEREOF LIBERTAS BIO INC (US) 2023-10-04 EP disclosed
EP-2748166-B1 PYRIMIDO-PYRIDAZINONE COMPOUNDS AND USE THEREOF ASANA BIOSCIENCES LLC (US) 2018-07-11 EP disclosed
WO-2017095898-A1 USES OF PYRIMIDO-PYRIMIDAZINONES TO TREAT CANCER ASANA BIOSCIENCES, LLC (US) 2017-06-08 WO disclosed
US-20170157126-A1 USES OF PYRIMIDO-PYRIDAZINONES TO TREAT CANCER ASANA BIOSCIENCES, LLC (US) 2017-06-08 US disclosed
US-20160257691-A1 PYRIMIDO-PYRIDAZINONE COMPOUNDS AND METHODS OF USE THEREOF Libertas Bio, Inc. 2016-09-08 US disclosed
US-9382277-B2 Pyrimido-pyridazinone compounds and methods of use thereof ASANA BIOSCIENCES, LLC (US) 2016-07-05 US disclosed
US-8729079-B2 Pyrimido-pyridazinone compounds and methods of use thereof ENDO PHARMACEUTICALS INC. (US) 2014-05-20 US disclosed
US-20130053346-A1 PYRIMIDO-PYRIDAZINONE COMPOUNDS AND METHODS OF USE THEREOF ENDO PHARMACEUTICALS INC (US) 2013-02-28 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-20160257691-A1 PYRIMIDO-PYRIDAZINONE COMPOUNDS AND METHODS OF USE THEREOF THPO, TYMP, TYMS ALDH1A1 367/4885LMNA 2970/4885HTT 4581/4885
US-20170157126-A1 USES OF PYRIMIDO-PYRIDAZINONES TO TREAT CANCER MKI67, DPYD, TYMP ALDH1A1 146/4885LMNA 3899/4885HTT 4805/4885
US-20130053346-A1 PYRIMIDO-PYRIDAZINONE COMPOUNDS AND METHODS OF USE THEREOF THPO, TYMP, TYMS ALDH1A1 367/4885LMNA 2970/4885HTT 4581/4885

“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.