SCHEMBL2625445

SCHEMBL2625445

O=C(NNc1nc2ccccc2s1)c1cccc(-c2cccc(C(=O)O)n2)c1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ BCL2L1 Q07817 13/20 0.60
▸ KDM4E B2RXH2 1/20 0.57
▸ LMNA P02545 1/20 0.57
▸ HTT P42858 2/20 0.54
▸ MAPT P10636 1/20 0.54
▸ GAA P10253 2/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ CYP1A2 P05177 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ GFER P55789 1/20 0.51
▸ PTP4A3 O75365 1/20 0.51

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
SCHEMBL3314994 0.82 KDM4E (0.80) KDM4ELMNAHTTMAPTGAA
SCHEMBL3001736 0.80 MEN1 (0.65) BCL2L1LMNAHTTMAPTGAA
SCHEMBL3001733 0.80 MEN1 (0.65) BCL2L1LMNAHTTMAPTGAA
SCHEMBL4140065 0.76 IRAK4 (0.56) BCL2L1KDM4E
SCHEMBL30885529 0.75 BCL2L1 (1.00) BCL2L1KDM4ELMNAMAPTALDH1A1
SCHEMBL3654151 0.74 BCL2L1 (0.57) BCL2L1MAPTGAANPC1RAB9A
SCHEMBL26115749 0.73 KDM4E (0.76) KDM4ELMNAHTTMAPTGAA
SCHEMBL30598987 0.73 KDM4E (0.76) KDM4ELMNAHTTMAPTGAA
SCHEMBL9133379 0.73 GAA (0.74) KDM4ELMNAHTTMAPTGAA
SCHEMBL31676000 0.72 BCL2L1 (0.77) BCL2L1KDM4ELMNAHTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165313-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2012-06-28 — — US disclosed
US-20120165313-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2012-06-28 — — US disclosed
US-8163763-B2 Pyrimidine compounds, compositions and methods of use GENENTECH, INC. (US) 2012-04-24 — — US disclosed
US-8163763-B2 Pyrimidine compounds, compositions and methods of use GENENTECH, INC. (US) 2012-04-24 — — US disclosed
US-20100069357-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2010-03-18 — — US disclosed
US-20100069357-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2010-03-18 — — 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-20120165313-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE MTOR, TYMS, DTYMK BCL2L1 4023/4885KDM4E 2804/4885LMNA 3554/4885
US-20100069357-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE MTOR, TYMS, DTYMK BCL2L1 4023/4885KDM4E 2804/4885LMNA 3554/4885

“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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