SCHEMBL10128577

SCHEMBL10128577

CCc1cn2c(-c3ccc(Br)cc3)nnc2c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
GAA P10253 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HPGD P15428 2/20 0.39
RXFP1 Q9HBX9 3/20 0.38
MAPT P10636 5/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
TSHR P16473 1/20 0.38
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
KMT2A Q03164 2/20 0.37
THRB P10828 1/20 0.36
MEN1 O00255 1/20 0.36
RECQL P46063 2/20 0.36
KDM4E B2RXH2 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
SCHEMBL10128573 0.90 ADORA3 (0.37) ALDH1A1CYP1A2GAACYP2D6CYP2C9
SCHEMBL10128583 0.87 ADORA3 (0.45) ALDH1A1CYP1A2GAACYP2D6CYP2C9
SCHEMBL10128765 0.86 RXFP1 (0.38) HPGDRXFP1MAPTSMN1; SMN2NPC1
SCHEMBL10128585 0.86 RXFP1 (0.36) ALDH1A1CYP1A2GAACYP2D6CYP2C9
SCHEMBL10128567 0.84 RXFP1 (0.42) ALDH1A1CYP1A2GAACYP2D6CYP2C9
SCHEMBL10128289 0.82 KDM4E (0.37) ALDH1A1HPGDRXFP1MAPTSMN1; SMN2
SCHEMBL10128582 0.81 RXFP1 (0.36) ALDH1A1CYP1A2GAACYP2D6CYP2C9
SCHEMBL10128621 0.80 RXFP1 (0.48) ALDH1A1HPGDRXFP1MAPTSMN1; SMN2
SCHEMBL10128596 0.79 SMN1; SMN2 (0.43) ALDH1A1CYP1A2GAACYP2D6CYP2C9
SCHEMBL10128580 0.78 RXFP1 (0.38) ALDH1A1CYP1A2GAACYP2D6CYP2C9

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-9034486-B2 Triazole derivative, heterocyclic compound, light-emitting element, light-emitting device, electronic device and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD (JP) 2015-05-19 US disclosed
US-9034486-B2 Triazole derivative, heterocyclic compound, light-emitting element, light-emitting device, electronic device and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD (JP) 2015-05-19 US disclosed
WO-2012017842-A1 TRIAZOLE DERIVATIVE, HETEROCYCLIC COMPOUND, LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, ELECTRONIC DEVICE AND LIGHTING DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-02-09 WO disclosed
US-20120025697-A1 Triazole Derivative, Heterocyclic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-02-02 US disclosed
US-20120025697-A1 Triazole Derivative, Heterocyclic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-02-02 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-20120025697-A1 Triazole Derivative, Heterocyclic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device HTR3D, KCNQ4, KCNQ3 ALDH1A1 1032/4885CYP1A2 261/4885GAA 3191/4885

“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.