SCHEMBL13611647

SCHEMBL13611647

Cc1cc(-c2ccccc2)nnc1N1CCN(c2ccncc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KHK P50053 1/20 0.43
NPC1 O15118 2/20 0.43
AHR P35869 1/20 0.41
LMNA P02545 4/20 0.41
CYP3A4 P08684 2/20 0.41
ACHE P22303 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CHRM1 P11229 1/20 0.41
CNR1 P21554 1/20 0.41
HTR2B P41595 1/20 0.41
KCNH2 Q12809 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 4/20 0.41
MAPT P10636 4/20 0.41
ALDH1A1 P00352 3/20 0.41
GAA P10253 2/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HCRTR1 O43613 1/20 0.41

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
SCHEMBL1753200 0.92 MAPT (0.47) NPC1AHRLMNACYP3A4ACHE
SCHEMBL1753067 0.85 ACHE (0.39) NPC1AHRLMNACYP3A4ACHE
SCHEMBL1752927 0.83 HRH4 (0.51) ACHECYP1A2CYP2D6CNR1KDM4E
SCHEMBL1752990 0.83 KMT2A (0.51) NPC1ACHETDP1KDM4EALDH1A1
Minozac Free Base SCHEMBL1752767 0.82 MAPT (0.48) NPC1LMNACYP3A4ACHECYP1A2
SCHEMBL27686016 0.82 HRH4 (0.46) NPC1LMNACYP1A2KDM4EMAPT
SCHEMBL1752980 0.82 LMNA (0.55) NPC1AHRLMNACYP3A4ACHE
SCHEMBL1753063 0.81 CSNK1D (0.46) NPC1LMNAKDM4EMAPTALDH1A1
Minozac Free Base SCHEMBL2799232 0.81 TSHR (0.47) NPC1LMNACYP3A4KDM4EMAPT
Minozac Free Base SCHEMBL29369390 0.81 TSHR (0.47) NPC1LMNACYP3A4KDM4EMAPT

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 KHK 403/4885NPC1 2111/4885AHR 65/4885

“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.