SCHEMBL12638816

SCHEMBL12638816

Nc1cc(-c2cc3ccccc3[nH]2)c2[nH]cnc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 1/20 0.45
▸ ADORA3 P0DMS8 1/20 0.43
▸ ADORA2A P29274 1/20 0.43
▸ ADORA1 P30542 1/20 0.43
▸ KDR P35968 3/20 0.43
▸ CHEK1 O14757 1/20 0.43
▸ RAB9A P51151 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ KDM4E B2RXH2 3/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ HPGD P15428 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ RET P07949 2/20 0.40
▸ AOC3 Q16853 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ LMNA P02545 1/20 0.39

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
SCHEMBL12638818 0.81 ADORA3 (0.46) GSK3BADORA3ADORA2AADORA1KDR
SCHEMBL12639892 0.78 GSK3B (0.45) GSK3BKDRCHEK1RAB9ANPC1
SCHEMBL12638828 0.76 RAB9A (0.49) GSK3BADORA3ADORA2AADORA1KDR
SCHEMBL12638819 0.75 KDR (0.40) GSK3BADORA3ADORA2AADORA1KDR
SCHEMBL12638821 0.75 ADORA1 (0.49) GSK3BADORA3ADORA2AADORA1KDR
SCHEMBL12961492 0.75 KDR (0.40) GSK3BADORA3ADORA2AADORA1KDR
SCHEMBL12638823 0.74 ADORA3 (0.51) GSK3BADORA3ADORA2AADORA1KDR
SCHEMBL12639893 0.73 KDR (0.50) GSK3BADORA3ADORA2AADORA1KDR
SCHEMBL12638832 0.73 CHEK1 (0.49) KDRCHEK1
SCHEMBL7027580 0.72 MAPK14 (0.47) GSK3BKDRRAB9ANPC1MEN1

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 GSK3B 1080/4885ADORA3 54/4885ADORA2A 18/4885
US-20080103137-A1 Deazapurines and uses thereof TPMT, TYMP, ENTPD5 GSK3B 1594/4885ADORA3 455/4885ADORA2A 125/4885

“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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