SCHEMBL13611645

SCHEMBL13611645

Cc1cc(-c2ccccc2)nnc1N1CCC(C)(N)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 8/20 0.42
ACHE P22303 2/20 0.40
STK4 Q13043 1/20 0.40
STK3 Q13188 1/20 0.40
LMNA P02545 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CHRM1 P11229 1/20 0.39
CNR1 P21554 1/20 0.39
HTR2B P41595 1/20 0.39
KCNH2 Q12809 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
SMARCA2 P51531 1/20 0.36
SMARCA4 P51532 1/20 0.36
PBRM1 Q86U86 1/20 0.36

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
SCHEMBL1752990 0.83 KMT2A (0.51) ACHETDP1
SCHEMBL1752927 0.80 HRH4 (0.51) ACHECYP1A2CYP2D6CNR1
SCHEMBL1752949 0.80 NPY5R (0.49) ACHECYP3A4CYP1A2CYP2D6
SCHEMBL1753200 0.80 MAPT (0.47) ACHELMNACYP3A4CYP1A2CYP2D6
SCHEMBL1752980 0.79 LMNA (0.55) ACHELMNACYP3A4CYP1A2CYP2D6
Minozac Free Base SCHEMBL1752767 0.77 MAPT (0.48) ACHELMNACYP3A4CYP1A2CYP2D6
Minozac Free Base SCHEMBL2799232 0.76 TSHR (0.47) LMNACYP3A4
SCHEMBL13611647 0.76 KHK (0.43) ACHELMNACYP3A4CYP1A2CYP2D6
Minozac Free Base SCHEMBL29369390 0.76 TSHR (0.47) LMNACYP3A4
SCHEMBL1753067 0.75 ACHE (0.39) ACHELMNACYP3A4CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325973-A1 FORMULATIONS CONTAINING PYRIDAZINE COMPOUNDS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-12-31 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 (1 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-20090325973-A1 FORMULATIONS CONTAINING PYRIDAZINE COMPOUNDS TST, SRMS, STS PTPN11 610/4885ACHE 3027/4885STK4 871/4885

“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.