SCHEMBL21341475

SCHEMBL21341475

CC(C)(C)c1cc(Nc2ccccc2)nc(C(C)(C)C)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR4 P51679 1/20 0.47
▸ KMT2A Q03164 6/20 0.45
▸ MEN1 O00255 5/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ MAPT P10636 7/20 0.44
▸ KDM4E B2RXH2 4/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ ALPG P10696 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ ABCG2 Q9UNQ0 1/20 0.44
▸ LMNA P02545 2/20 0.41
▸ TP53 P04637 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ GBA1 P04062 1/20 0.41
▸ SYK P43405 1/20 0.40
▸ HTT P42858 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ GPR55 Q9Y2T6 1/20 0.40

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
SCHEMBL12570644 0.80 CCR4 (0.44) CCR4KMT2AMEN1CYP1A2CYP2D6
SCHEMBL26777976 0.74 NOS3 (0.38) KDM4EHSD17B10
SCHEMBL23139602 0.73 NPC1 (0.57) KMT2AMEN1MAPTKDM4ERAB9A
SCHEMBL28121637 0.73 NPC1 (0.53) CCR4KMT2AMEN1MAPTKDM4E
SCHEMBL173244 0.71 HMGCR (0.46) KDM4EHSD17B10
SCHEMBL17878910 0.70 HSD17B10 (0.45) KMT2AMEN1CYP1A2CYP2D6MAPT
SCHEMBL18063484 0.69 NPC1 (0.51) KMT2AMEN1CYP1A2MAPTKDM4E
SCHEMBL21341474 0.67 MAPK1 (0.44) KMT2AMEN1CYP1A2MAPTKDM4E
SCHEMBL21341308 0.67 HMGCR (0.49) RAB9ATDP1POLBSMN1; SMN2ALDH1A1
SCHEMBL2409063 0.66 MAPT (0.62) KMT2AMEN1CYP1A2CYP2D6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230030115-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO LTD (CN) 2023-02-02 — — US disclosed
US-20220378743-A1 METHOD FOR TREATING FATTY LIVER DISEASE AND/OR STEATOHEPATITIS BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2022-12-01 — — US disclosed
US-20190276440-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2019-09-12 — — 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 (3 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-20230030115-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF ROCK1, ROCK2, RHOA CCR4 4578/4885KMT2A 3464/4885MEN1 1685/4885
US-20190276440-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF ROCK1, ROCK2, RHOA CCR4 4578/4885KMT2A 3464/4885MEN1 1685/4885
US-20220378743-A1 METHOD FOR TREATING FATTY LIVER DISEASE AND/OR STEATOHEPATITIS SLC10A1, CYP7A1, FABP1 CCR4 3603/4885KMT2A 4063/4885MEN1 2920/4885

“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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