SCHEMBL13543795

SCHEMBL13543795

O=C(Nc1nc(CN2CCCCC2)cs1)c1n[nH]cc1NC(=O)c1c(F)cccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ ACKR3 P25106 1/20 0.39
▸ PDE5A O76074 1/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ POLB P06746 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ HPGD P15428 1/20 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
SCHEMBL13543797 0.91 BCL3 (0.47) ALDH1A1KMT2AKDM4EMEN1SMN1; SMN2
SCHEMBL13543787 0.78 SMN1; SMN2 (0.55) ALDH1A1KMT2AMEN1SMN1; SMN2RAB9A
SCHEMBL954760 0.76 MAPT (0.44) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL957518 0.72 RXFP1 (0.44) BCL3
SCHEMBL3587804 0.72 MEN1 (0.47) ALDH1A1KMT2AMEN1SMN1; SMN2RAB9A
SCHEMBL13543794 0.72 MAPT (0.62) ALDH1A1KMT2AKDM4EMEN1SMN1; SMN2
SCHEMBL12002312 0.71 ACKR3 (0.50) ALDH1A1KMT2AMEN1SMN1; SMN2RAB9A
SCHEMBL8219766 0.70 L3MBTL1 (0.69) ALDH1A1KMT2AACKR3TSHRPOLB
SCHEMBL1286713 0.70 CDK2 (0.63) KMT2ARAB9AACKR3NPC1
SCHEMBL8224133 0.70 CDK2 (0.50) KMT2AMEN1RAB9AMAPTACKR3

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-20100004243-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2010-01-07 — — US disclosed
US-20100004243-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2010-01-07 — — US disclosed
WO-2008007123-A2 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2008-01-17 — — WO 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-20100004243-A1 PHARMACEUTICAL COMPOUNDS CDK1, CDK2, CDK4 ALDH1A1 3489/4885KMT2A 736/4885KDM4E 261/4885

“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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