SCHEMBL24626542

SCHEMBL24626542

c1ccc(-c2cc(-c3ccccn3)nc(-c3cc(-c4ccccc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccn3)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ TGFBR1 P36897 4/20 0.44
▸ GRM5 P41594 4/20 0.43
▸ CCR1 P32246 3/20 0.43
▸ CCR5 P51681 3/20 0.43
▸ CCR8 P51685 3/20 0.43
▸ SMN1; SMN2 Q16637 5/20 0.43
▸ RAB9A P51151 5/20 0.43
▸ LMNA P02545 4/20 0.43
▸ TP53 P04637 3/20 0.43
▸ PKM P14618 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ KLF5 Q13887 1/20 0.43
▸ KDM6B O15054 1/20 0.42
▸ KDM4A O75164 1/20 0.42

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
SCHEMBL23081963 0.99 KDM4E (0.44) KDM4ETDP1TGFBR1GRM5CCR1
SCHEMBL24627025 0.96 GRM5 (0.44) KDM4ETDP1TGFBR1GRM5CCR1
SCHEMBL23081840 0.95 RAB9A (0.44) KDM4ETDP1TGFBR1GRM5CCR1
SCHEMBL24626457 0.95 TGFBR1 (0.44) KDM4ETDP1TGFBR1GRM5CCR1
SCHEMBL24626209 0.93 KDM4E (0.44) KDM4ETDP1TGFBR1GRM5CCR1
SCHEMBL24627020 0.93 KDM4E (0.46) KDM4ETDP1TGFBR1GRM5CCR1
SCHEMBL24626674 0.92 TGFBR1 (0.47) KDM4ETDP1TGFBR1GRM5CCR1
SCHEMBL24626549 0.91 TGFBR1 (0.46) KDM4ETDP1TGFBR1GRM5CCR1
SCHEMBL24626682 0.89 RAB9A (0.48) KDM4ETDP1TGFBR1GRM5CCR1
SCHEMBL24626262 0.89 RAB9A (0.48) KDM4ETDP1TGFBR1GRM5CCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220223795-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME LT MATERIALS CO., LTD. (KR) 2022-07-14 — — 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-20220223795-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME CRY1, CYP1A1, CYP1B1 KDM4E 2496/4885TDP1 2444/4885TGFBR1 1259/4885

“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.

Send feedback