SCHEMBL17405299

SCHEMBL17405299

CCCc1nc2ccccc2n1-c1ccc(-n2c3ccccc3c3c4c5ccccc5oc4c4c(c5ccccc5n4-c4ccccc4)c32)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.45
CYP1A2 P05177 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
PDE10A Q9Y233 3/20 0.41
POLB P06746 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
BLM P54132 1/20 0.40
USP2 O75604 1/20 0.39
LMNA P02545 2/20 0.39
NTRK1 P04629 1/20 0.39
NTRK2 Q16620 1/20 0.39
MAPK1 P28482 1/20 0.39
MAPT P10636 1/20 0.39
PSMD14 O00487 1/20 0.39

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
SCHEMBL17405255 0.95 USP2 (0.44) RAB9ACYP1A2MEN1KMT2ACYP3A4
SCHEMBL17405304 0.94 RAB9A (0.41) RAB9ACYP1A2MEN1KMT2ACYP3A4
SCHEMBL17405276 0.93 ALDH1A1 (0.45) RAB9ACYP1A2MEN1KMT2APDE10A
SCHEMBL17405257 0.88 SMN1; SMN2 (0.43) RAB9ACYP1A2MEN1KMT2APDE10A
SCHEMBL17405294 0.87 ALDH1A1 (0.44) RAB9ACYP1A2MEN1KMT2APDE10A
SCHEMBL17405285 0.85 MAPK1 (0.54) RAB9ACYP1A2MEN1KMT2ACYP2C9
SCHEMBL15930360 0.83 RAB9A (0.45) RAB9ACYP1A2MEN1KMT2ACYP3A4
SCHEMBL17405282 0.82 ESR1 (0.47) RAB9AMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL17405297 0.82 ESR1 (0.50) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL17406618 0.82 KDM4E (0.44) MEN1KMT2APOLBSMN1; SMN2ALDH1A1

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 RAB9A 3477/4885CYP1A2 1952/4885MEN1 1833/4885

“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.