SCHEMBL12638823

SCHEMBL12638823

CCCc1nc2nc(N)cc(-c3cc4ccccc4[nH]3)c2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 4/20 0.51
▸ ADORA2A P29274 4/20 0.51
▸ ADORA1 P30542 4/20 0.51
▸ KDM4E B2RXH2 4/20 0.39
▸ MAPT P10636 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ KDR P35968 3/20 0.39
▸ CHEK1 O14757 1/20 0.39
▸ 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

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
SCHEMBL12638825 0.93 ADORA3 (0.44) ADORA3ADORA2AADORA1KDM4EMAPT
SCHEMBL12638821 0.90 ADORA1 (0.49) ADORA3ADORA2AADORA1KDM4EMAPT
SCHEMBL12638829 0.83 MAPT (0.43) KDM4EMAPTRAB9AMEN1ALDH1A1
SCHEMBL12638818 0.81 ADORA3 (0.46) ADORA3ADORA2AADORA1KDM4EMAPT
SCHEMBL12638839 0.76 CHEK1 (0.47) KDRCHEK1
SCHEMBL12638819 0.76 KDR (0.40) ADORA3ADORA2AADORA1KDM4EMAPT
SCHEMBL12638816 0.74 GSK3B (0.45) ADORA3ADORA2AADORA1KDM4EMAPT
SCHEMBL12638830 0.73 PRMT5 (0.41) KDM4EMAPTRAB9AMEN1ALDH1A1
SCHEMBL12639901 0.72 KDM4E (0.42) KDM4EMAPTRAB9AMEN1ALDH1A1
SCHEMBL12638840 0.71 CHEK1 (0.46) KDRCHEK1

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 ADORA3 54/4885ADORA2A 18/4885ADORA1 50/4885
US-20080103137-A1 Deazapurines and uses thereof TPMT, TYMP, ENTPD5 ADORA3 455/4885ADORA2A 125/4885ADORA1 508/4885

“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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