SCHEMBL18130000

SCHEMBL18130000

COc1ccc(CNc2ncnc3c2ccn3[C@@H]2O[C@H](CN(CCCN)C(C)C)[C@H]3OC(C)(C)O[C@H]32)c(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 10/20 0.38
▸ CYP3A4 P08684 10/20 0.38
▸ CYP2C19 P33261 10/20 0.38
▸ CLK4 Q9HAZ1 9/20 0.38
▸ CYP2D6 P10635 9/20 0.38
▸ ALDH1A1 P00352 8/20 0.38
▸ USP2 O75604 8/20 0.38
▸ TSHR P16473 7/20 0.38
▸ HSD17B10 Q99714 7/20 0.38
▸ LMNA P02545 6/20 0.38
▸ MAPK1 P28482 5/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ HIF1A Q16665 3/20 0.38
▸ CYP2C9 P11712 5/20 0.37
▸ ALOX15 P16050 2/20 0.37
▸ DOT1L Q8TEK3 3/20 0.36
▸ PRMT5 O14744 2/20 0.36
▸ PRMT7 Q9NVM4 1/20 0.36
▸ ADORA3 P0DMS8 3/20 0.36

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
SCHEMBL9286361 0.91 CYP1A2 (0.37) CYP1A2CYP3A4CYP2C19CLK4CYP2D6
SCHEMBL9286291 0.88 CYP1A2 (0.40) CYP1A2CYP3A4CYP2C19CLK4CYP2D6
SCHEMBL9105747 0.87 CYP1A2 (0.44) CYP1A2CYP3A4CYP2C19CLK4CYP2D6
SCHEMBL9105754 0.87 CYP1A2 (0.44) CYP1A2CYP3A4CYP2C19CLK4CYP2D6
SCHEMBL9275527 0.86 DOT1L (0.39) CYP1A2CYP3A4CYP2C19CLK4CYP2D6
SCHEMBL9288530 0.85 DOT1L (0.42) CYP1A2CYP3A4CYP2C19CLK4CYP2D6
SCHEMBL9289347 0.84 DOT1L (0.57) DOT1LPRMT5PRMT7
SCHEMBL9288723 0.84 CYP1A2 (0.42) CYP1A2CYP3A4CYP2C19CLK4CYP2D6
SCHEMBL9282034 0.84 CYP1A2 (0.42) CYP1A2CYP3A4CYP2C19CLK4CYP2D6
SCHEMBL9287140 0.84 CYP1A2 (0.39) CYP1A2CYP3A4CYP2C19CLK4CYP2D6

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-11603570-B2 Methods for the detection and treatment of leukemias that are responsive to DOT1L inhibition MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2023-03-14 — — US disclosed
US-10407732-B2 Methods for the detection and treatment of leukemias that are responsive to DOT1L inhibition MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2019-09-10 — — US disclosed
US-20160298195-A1 METHODS FOR THE DETECTION AND TREATMENT OF LEUKEMIAS THAT ARE RESPONSIVE TO DOT1L INHIBITION MEMORIAL SLOAN KETTERING CANCER CENTER 2016-10-13 — — 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-11603570-B2 Methods for the detection and treatment of leukemias that are responsive to DOT1L inhibition MLLT1, MCL1, BCR CYP1A2 3681/4885CYP3A4 3811/4885CYP2C19 4643/4885
US-10407732-B2 Methods for the detection and treatment of leukemias that are responsive to DOT1L inhibition MLLT1, MCL1, BCR CYP1A2 4353/4885CYP3A4 4158/4885CYP2C19 4794/4885
US-20160298195-A1 METHODS FOR THE DETECTION AND TREATMENT OF LEUKEMIAS THAT ARE RESPONSIVE TO DOT1L INHIBITION MLLT1, MCL1, BCR CYP1A2 4353/4885CYP3A4 4158/4885CYP2C19 4794/4885

“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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