SCHEMBL7058864

SCHEMBL7058864

Cc1nc(NC(=N)N)nc2ccc(Cc3ccccc3)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.47
RAB9A P51151 4/20 0.47
MAPT P10636 6/20 0.42
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
ALDH1A1 P00352 4/20 0.42
NPC1 O15118 2/20 0.42
TP53 P04637 1/20 0.42
KDM4E B2RXH2 6/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
HTT P42858 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
HIF1A Q16665 1/20 0.42
RAD52 P43351 1/20 0.41
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
GAA P10253 1/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL7055907 0.86 LMNA (0.61) LMNARAB9AMAPTMEN1KMT2A
SCHEMBL7056202 0.84 LMNA (0.51) LMNARAB9AMAPTMEN1KMT2A
SCHEMBL20077899 0.82 LMNA (0.47) LMNARAB9AMAPTMEN1KMT2A
SCHEMBL7052853 0.81 LMNA (0.49) LMNARAB9AMAPTMEN1KMT2A
SCHEMBL7054191 0.81 KDM4E (0.52) LMNARAB9AMAPTMEN1KMT2A
SCHEMBL7057442 0.81 TRIM58 (0.48) LMNARAB9AMAPTMEN1KMT2A
SCHEMBL7056709 0.81 LMNA (0.48) LMNARAB9AMAPTMEN1KMT2A
SCHEMBL3470444 0.80 KDM4E (0.58) LMNARAB9AMAPTMEN1KMT2A
SCHEMBL7054274 0.80 LMNA (0.47) LMNARAB9AMAPTMEN1KMT2A
SCHEMBL7057908 0.80 LMNA (0.47) LMNARAB9AMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150246140-A1 COMPOSITIONS AND METHODS FOR MODULATING SLEEP AND WAKEFULNESS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2015-09-03 US disclosed
WO-2015120446-A1 COMPOSITIONS AND METHODS FOR MODULATING SLEEP AND WAKEFULENESS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2015-08-13 WO disclosed
US-20030176314-A1 Compounds for the treatment of pain H. LUNDBECK A/S (DK) 2003-09-18 US disclosed
US-20030139431-A1 Guanidines which are agonist/antagonist ligands for neuropeptide FF (NPFF) receptors H. LUNDBECK A/S (DK) 2003-07-24 US disclosed
WO-2003026657-A1 COMPOUNDS FOR THE TREATMENT OF PAIN SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2003-04-03 WO 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-20030176314-A1 Compounds for the treatment of pain NPFFR2, NPFFR1, OPRL1 LMNA 4829/4885RAB9A 3568/4885MAPT 2186/4885
US-20150246140-A1 COMPOSITIONS AND METHODS FOR MODULATING SLEEP AND WAKEFULNESS HCRTR2, HCRTR1, NPSR1 LMNA 866/4885RAB9A 3671/4885MAPT 2646/4885
US-20030139431-A1 Guanidines which are agonist/antagonist ligands for neuropeptide FF (NPFF) receptors NPFFR1, NPFFR2, SSTR3 LMNA 2301/4885RAB9A 2019/4885MAPT 4577/4885

“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.