SCHEMBL21025559

SCHEMBL21025559

CC(C)(C)c1ccc2c(=O)n(Cc3ncccn3)ccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 1/20 0.40
▸ BRD4 O60885 1/20 0.38
▸ GRM4 Q14833 2/20 0.37
▸ ROCK2 O75116 1/20 0.36
▸ ROCK1 Q13464 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ DDR1 Q08345 4/20 0.35
▸ CCR9 P51686 1/20 0.35
▸ BTK Q06187 1/20 0.35
▸ METAP2 P50579 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ MITF O75030 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ PGR P06401 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
SCHEMBL20809002 0.83 GRM2 (0.43) GRM2BRD4GRM4ROCK2ROCK1
SCHEMBL28061868 0.82 METAP2 (0.44) BRD4ROCK2ROCK1MEN1KMT2A
SCHEMBL20786962 0.80 GRM2 (0.40) GRM2BRD4GRM4ROCK2ROCK1
SCHEMBL21025538 0.79 GRM2 (0.40) GRM2MEN1KMT2ADDR1METAP2
SCHEMBL21024999 0.79 BTK (0.41) ROCK2BTKNPC1MITFRAB9A
SCHEMBL21025554 0.74 ITGB3 (0.42) KMT2ABTKMAPT
SCHEMBL21025688 0.73 NR1I2 (0.39) GRM2DDR1SMN1; SMN2NPC1MITF
SCHEMBL21025176 0.72 GRIN2B (0.40) MAPT
SCHEMBL21025153 0.72 KDM4E (0.47) MEN1KMT2APOLBSMN1; SMN2LMNA
SCHEMBL18216847 0.71 NR1I2 (0.41) BRD4BTKMETAP2SMN1; SMN2NPC1

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-10669252-B2 Benzazepine derivative, preparation method, pharmaceutical composition and use thereof Shanghai De Novo Pharmatech Co., Ltd. (CN) 2020-06-02 — — US disclosed
US-20190152941-A1 BENZAZEPINE DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai De Novo Pharmatech Co., Ltd. (CN) 2019-05-23 — — 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-10669252-B2 Benzazepine derivative, preparation method, pharmaceutical composition and use thereof TLR8, TLR1, TLR5 GRM2 778/4885BRD4 164/4885GRM4 584/4885
US-20190152941-A1 BENZAZEPINE DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF TLR8, TLR1, TLR5 GRM2 778/4885BRD4 164/4885GRM4 584/4885

“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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