SCHEMBL18059353

SCHEMBL18059353

CC1(C)c2ccccc2-c2ccc3c4cc5cnccc5cc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c21

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HASPIN Q8TF76 8/20 0.40
▸ TNF P01375 1/20 0.33
▸ PIM1 P11309 3/20 0.33
▸ CCNT1 O60563 2/20 0.32
▸ CDK9 P50750 2/20 0.32
▸ TDO2 P48775 2/20 0.31
▸ CLK1 P49759 1/20 0.31
▸ PIK3CD O00329 1/20 0.30
▸ PIK3CB P42338 1/20 0.30
▸ PIK3CG P48736 1/20 0.30
▸ IKBKB O14920 2/20 0.30
▸ CHUK O15111 1/20 0.30
▸ LCK P06239 1/20 0.30
▸ ROCK1 Q13464 1/20 0.30

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
SCHEMBL18058240 1.00 HASPIN (0.40) HASPINTNFPIM1CCNT1CDK9
SCHEMBL18057950 0.91 — —
SCHEMBL18059387 0.85 TDO2 (0.31) TDO2PIK3CD
SCHEMBL18058239 0.85 TDO2 (0.33) TDO2PIK3CD
SCHEMBL18058070 0.85 HASPIN (0.36) HASPINTNFTDO2CLK1IKBKB
SCHEMBL18058072 0.85 HASPIN (0.36) HASPINTNFTDO2CLK1IKBKB
SCHEMBL18058247 0.85 TNF (0.33) TNF
SCHEMBL18057978 0.85 TNF (0.41) TNF
SCHEMBL16940910 0.84 — —
SCHEMBL18057960 0.84 ABCB1 (0.31) —

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-10680183-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2020-06-09 — — US disclosed
US-20160260909-A1 Organic Electroluminescent Materials and Devices UNIVERSAL DISPLAY CORPORATION 2016-09-08 — — 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-10680183-B2 Organic electroluminescent materials and devices PNMT, CYCS, NES HASPIN 3855/4885TNF 4821/4885PIM1 365/4885
US-20160260909-A1 Organic Electroluminescent Materials and Devices PNMT, CYCS, NES HASPIN 3855/4885TNF 4821/4885PIM1 365/4885

“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.

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