SCHEMBL12638830

SCHEMBL12638830

CSc1ccc(-c2nc3nc(N)cc(-c4cc5ccccc5[nH]4)c3[nH]2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 1/20 0.41
▸ ALOX5 P09917 1/20 0.39
▸ XDH P47989 1/20 0.39
▸ KDM4E B2RXH2 4/20 0.38
▸ MAPT P10636 4/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ HPGD P15428 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ USP2 O75604 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ RAB9A P51151 4/20 0.36
▸ NPC1 O15118 3/20 0.36
▸ CASP3 P42574 2/20 0.36
▸ SENP8 Q96LD8 2/20 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
SCHEMBL12638828 0.87 RAB9A (0.49) PRMT5XDHKDM4EMAPTMEN1
SCHEMBL12638818 0.78 ADORA3 (0.46) KDM4EMAPTMEN1ALDH1A1HPGD
SCHEMBL12961492 0.75 KDR (0.40) KDM4EMAPTMEN1ALDH1A1HPGD
SCHEMBL12638821 0.75 ADORA1 (0.49) KDM4EMAPTMEN1ALDH1A1HPGD
SCHEMBL11728099 0.74 RAB9A (0.65) KDM4EMAPTMEN1ALDH1A1HPGD
SCHEMBL12638823 0.73 ADORA3 (0.51) KDM4EMAPTMEN1ALDH1A1HPGD
SCHEMBL12638819 0.72 KDR (0.40) KDM4EMAPTMEN1ALDH1A1HPGD
SCHEMBL12638825 0.71 ADORA3 (0.44) KDM4EMAPTMEN1ALDH1A1HPGD
SCHEMBL12638829 0.70 MAPT (0.43) PRMT5KDM4EMAPTMEN1ALDH1A1
SCHEMBL12638816 0.70 GSK3B (0.45) KDM4EMAPTMEN1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105427-A1 DEAZAPURINES AND USES THEREOF DAUN JANE 2011-05-05 — — US disclosed
US-7868002-B2 Deazapurines and uses thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-01-11 — — US disclosed
US-7868002-B2 Deazapurines and uses thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-01-11 — — US disclosed
US-20080103137-A1 Deazapurines and uses thereof EISAI CO., LTD. 2008-05-01 — — US disclosed
US-20080103137-A1 Deazapurines and uses thereof EISAI CO., LTD. 2008-05-01 — — US disclosed
US-7314936-B2 Deazapurines and uses thereof EISAI CO., LTD. (JP) 2008-01-01 — — US disclosed
US-7314936-B2 Deazapurines and uses thereof EISAI CO., LTD. (JP) 2008-01-01 — — 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-20110105427-A1 DEAZAPURINES AND USES THEREOF TPMT, CD38, CD2 PRMT5 63/4885ALOX5 769/4885XDH 509/4885
US-20080103137-A1 Deazapurines and uses thereof TPMT, TYMP, ENTPD5 PRMT5 365/4885ALOX5 243/4885XDH 97/4885

“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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