SCHEMBL13645755

SCHEMBL13645755

CCCC(NC(C)=O)C(=O)Nc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.55
▸ TSHR P16473 2/20 0.55
▸ HSD17B10 Q99714 4/20 0.51
▸ NAPRT Q6XQN6 1/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ KMT2A Q03164 5/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ ATM Q13315 1/20 0.49
▸ EHMT2 Q96KQ7 1/20 0.48
▸ SIRT1 Q96EB6 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ FPR2 P25090 1/20 0.47
▸ MME P08473 1/20 0.47
▸ ACE P12821 1/20 0.47

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
SCHEMBL13645809 0.87 KMT2A (0.55) ALDH1A1TSHRHSD17B10NAPRTSMN1; SMN2
SCHEMBL29076172 0.84 NAPRT (0.53) ALDH1A1TSHRHSD17B10NAPRTKMT2A
SCHEMBL172206 0.84 MEN1 (0.51) ALDH1A1TSHRHSD17B10SMN1; SMN2KMT2A
SCHEMBL31374603 0.84 MEN1 (0.51) ALDH1A1TSHRHSD17B10SMN1; SMN2KMT2A
SCHEMBL13408886 0.83 MAPT (0.53) ALDH1A1TSHRHSD17B10NAPRTSMN1; SMN2
SCHEMBL26187558 0.81 MME (0.54) ALDH1A1TSHRHSD17B10NAPRTKMT2A
SCHEMBL29245669 0.81 CA12 (0.65) ALDH1A1TSHRHSD17B10NAPRTKMT2A
SCHEMBL31374635 0.80 MMP3 (0.47) ALDH1A1TSHRHSD17B10SMN1; SMN2KMT2A
SCHEMBL3763472 0.80 HDAC4 (0.61) SIRT1SIRT2
SCHEMBL23976663 0.80 MEN1 (0.48) ALDH1A1TSHRHSD17B10SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598244-B2 [1,2,4]triazolo[1,5,a]pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-10-06 — — US disclosed
US-7598244-B2 [1,2,4]triazolo[1,5,a]pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-10-06 — — US disclosed
US-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-01-11 — — US disclosed
US-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-01-11 — — 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 (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-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof HLA-C, TPMT, TAP1 ALDH1A1 208/4885TSHR 3257/4885HSD17B10 4670/4885

“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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