SCHEMBL24845002

SCHEMBL24845002

Cc1ccccc1N1CN(N)c2ncncc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.40
CYP3A4 P08684 4/20 0.40
CYP2D6 P10635 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 3/20 0.40
CYP2C19 P33261 1/20 0.40
TSHR P16473 3/20 0.39
RECQL P46063 1/20 0.39
RPS6KB1 P23443 1/20 0.39
PI4KA P42356 1/20 0.36
PI4K2B Q8TCG2 1/20 0.36
PI4K2A Q9BTU6 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA7 P43166 1/20 0.35
GRM4 Q14833 1/20 0.34
DDB1 Q16531 1/20 0.33

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
SCHEMBL24981453 0.89 CYP1A2 (0.40) CYP1A2CYP3A4CYP2D6MEN1KMT2A
SCHEMBL17754709 0.84 CYP1A2 (0.44) CYP1A2CYP3A4CYP2D6MEN1KMT2A
SCHEMBL24981938 0.81 NOS3 (0.42) KMT2AALDH1A1PI4KAPI4K2BPI4K2A
SCHEMBL17754705 0.78 CYP1A2 (0.44) CYP1A2CYP3A4CYP2D6MEN1KMT2A
SCHEMBL24187248 0.77 MAPT (0.40) CYP1A2ALDH1A1CA1CA2CA4
SCHEMBL22857640 0.77 MAPT (0.40) CYP1A2ALDH1A1CA1CA2CA4
SCHEMBL24658926 0.74 SMN1; SMN2 (0.42) CYP3A4MEN1KMT2AALDH1A1CA1
SCHEMBL20201472 0.73 MAPT (0.41) CYP1A2CYP3A4CYP2D6MEN1KMT2A
SCHEMBL23256061 0.73 CYP1A2 (0.36) CYP1A2CYP3A4CYP2D6MEN1KMT2A
SCHEMBL26537156 0.73 CYP1A2 (0.36) CYP1A2CYP3A4CYP2D6MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230018990-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-01-19 US disclosed
US-20230006150-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-01-05 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 (2 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-20230006150-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD1, OCIAD2, AOC3 CYP1A2 1986/4885CYP3A4 1656/4885CYP2D6 2796/4885
US-20230018990-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES LIFR, NR2C2, NR5A2 CYP1A2 941/4885CYP3A4 3270/4885CYP2D6 3063/4885

“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.