SCHEMBL17405255

SCHEMBL17405255

CCCc1nc2ccccc2n1-c1cccc(-n2c3ccccc3c3c4c5ccccc5oc4c4c(c5ccccc5n4-c4ccccc4)c32)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.44
PDE10A Q9Y233 6/20 0.41
RAB9A P51151 1/20 0.41
CYP1A2 P05177 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
NTRK1 P04629 1/20 0.38
NTRK2 Q16620 1/20 0.38
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HCAR1 Q9BXC0 1/20 0.36
BLM P54132 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
SCHEMBL17405299 0.95 RAB9A (0.45) USP2PDE10ARAB9ACYP1A2MEN1
SCHEMBL17405257 0.93 SMN1; SMN2 (0.43) USP2PDE10ARAB9ACYP1A2MEN1
SCHEMBL17405304 0.91 RAB9A (0.41) USP2PDE10ARAB9ACYP1A2MEN1
SCHEMBL17405276 0.88 ALDH1A1 (0.45) PDE10ARAB9ACYP1A2MEN1KMT2A
SCHEMBL17405249 0.86 MAPK1 (0.51) POLBSMN1; SMN2ALDH1A1LMNA
SCHEMBL17405294 0.85 ALDH1A1 (0.44) PDE10ARAB9ACYP1A2MEN1KMT2A
SCHEMBL17405306 0.83 ESR1 (0.45) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL17405252 0.82 ESR1 (0.42) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL17405270 0.81 MAPT (0.48) SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL17405285 0.81 MAPK1 (0.54) RAB9ACYP1A2MEN1KMT2ACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9887367-B2 Heterocyclic compound, material for organic electroluminescent elements using same, organic electroluminescent element using same, and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2018-02-06 US disclosed
US-9887367-B2 Heterocyclic compound, material for organic electroluminescent elements using same, organic electroluminescent element using same, and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2018-02-06 US disclosed
US-20160005977-A1 HETEROCYCLIC COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME, ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-01-07 US disclosed
US-20160005977-A1 HETEROCYCLIC COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME, ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-01-07 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-20160005977-A1 HETEROCYCLIC COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME, ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME, AND ELECTRONIC DEVICE ODC1, NOTUM, OR10J3 USP2 3308/4885PDE10A 3920/4885RAB9A 3477/4885

“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.