Sugi Predict

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SCHEMBL3146233

SCHEMBL3146233

COc1cccc(-n2cnc3c(NC4CC4)nc(C(F)(F)F)nc32)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 1/20 0.46
▸ PI4KA P42356 1/20 0.45
▸ PI4K2B Q8TCG2 1/20 0.45
▸ PI4K2A Q9BTU6 1/20 0.45
▸ PI4KB Q9UBF8 1/20 0.45
▸ CDK1 P06493 2/20 0.45
▸ ADORA2A P29274 3/20 0.43
▸ GSK3A P49840 1/20 0.42
▸ GSK3B P49841 1/20 0.42
▸ TLR7 Q9NYK1 1/20 0.41
▸ ADORA1 P30542 2/20 0.40
▸ CCNE2 O96020 2/20 0.40
▸ CCNA2 P20248 2/20 0.40
▸ CCNE1 P24864 2/20 0.40
▸ CDK2 P24941 2/20 0.40
▸ CCNA1 P78396 2/20 0.40
▸ USP2 O75604 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ CYP1A2 P05177 2/20 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
SCHEMBL3145548 0.91 PDE4A (0.41) CDK1ADORA2ATLR7ADORA1CCNE1
SCHEMBL3146103 0.90 YTHDC1 (0.40) XDHCDK1TLR7YTHDC1PDE4A
SCHEMBL3142327 0.90 PIM1 (0.44) ADORA2ATLR7ADORA1YTHDC1PDE4A
SCHEMBL3142283 0.89 GRM1 (0.48) XDHPI4KAPI4K2BPI4K2API4KB
SCHEMBL3138702 0.87 XDH (0.50) XDHCDK1TLR7TP53YTHDC1
SCHEMBL3141335 0.86 PDE4A (0.54) XDHPI4KAPI4K2BPI4K2API4KB
SCHEMBL3136277 0.86 ULK1 (0.46) TLR7ALDH1A1LMNACYP1A2CYP3A4
SCHEMBL3141644 0.86 YTHDC1 (0.45) CDK1TLR7TP53YTHDC1FGFR1
SCHEMBL3137716 0.86 YTHDC1 (0.42) TLR7CYP2D6TSHRCYP2C19YTHDC1
SCHEMBL3146372 0.86 XDH (0.42) XDHPI4KAPI4K2BPI4K2API4KB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100010020-A1 PHOSPHODIESTERASE 4 INHIBITORS LIU RUIPING 2010-01-14 — — US claimed
CN-100439370-C Trifluoromethylpurines as phosphodiesterase 4 inhibitors MEMORY PHARM CORP (US) 2008-12-03 — — CN claimed
US-20080119495-A1 PHOSPHODIESTERASE 4 INHIBITORS LIU RUIPING 2008-05-22 — — US claimed
US-7342021-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORP. (US) 2008-03-11 — — US claimed
US-20040242598-A1 Phosphodiesterase 4 inhibitors LIU RUIPING (US) 2004-12-02 — — US claimed
CN-1501927-A Trifluoromethylpurines as phosphodiesterase 4 inhibitors 记忆药物公司 2004-06-02 — — CN claimed
EP-1383767-A1 TRIFLUOROMETHYLPURINES AS PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceutical Corporation (US) 2004-01-28 — — EP claimed
US-20030045533-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORP. 2003-03-06 — — US claimed
WO-2002098878-A1 TRIFLUOROMETHYLPURINES AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2002-12-12 — — WO claimed
US-20100010020-A1 PHOSPHODIESTERASE 4 INHIBITORS LIU RUIPING 2010-01-14 — — US disclosed
US-20100004236-A1 PHOSPHODIESTERASE 4 INHIBITORS TEHIM ASHOK 2010-01-07 — — US disclosed
EP-1529049-B1 DERIVATIVES OF 2-TRIFLUORMETHYL-6-AMINOPURINE AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARM CORP (US) 2009-11-18 — — EP disclosed
US-20080139583-A1 PHOSPHODIESTERASE 4 INHIBITORS TEHIM ASHOK 2008-06-12 — — US disclosed
US-20080119495-A1 PHOSPHODIESTERASE 4 INHIBITORS LIU RUIPING 2008-05-22 — — US disclosed
US-7342021-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORP. (US) 2008-03-11 — — US disclosed
US-7332486-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORP. (US) 2008-02-19 — — US disclosed
US-20070093510-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORP. (US) 2007-04-26 — — US disclosed
CN-1688580-A 2-Trifluoromethyl-6-aminopurine derivatives as phosphodiesterase 4 inhibitors MEMORY PHARM CORP (US) 2005-10-26 — — CN disclosed
US-20040242598-A1 Phosphodiesterase 4 inhibitors LIU RUIPING (US) 2004-12-02 — — US disclosed
US-20030045533-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORP. 2003-03-06 — — 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 (7 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-20070093510-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE3B, PDE3A XDH 226/4885PI4KA 453/4885PI4K2B 674/4885
US-20080139583-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE3A XDH 226/4885PI4KA 453/4885PI4K2B 674/4885
US-20030045533-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE3A, PDE3B XDH 259/4885PI4KA 212/4885PI4K2B 350/4885
US-20100004236-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE3A XDH 226/4885PI4KA 453/4885PI4K2B 674/4885
US-20040242598-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE3A, PDE3B XDH 259/4885PI4KA 212/4885PI4K2B 350/4885
US-20080119495-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE3A XDH 226/4885PI4KA 453/4885PI4K2B 674/4885
US-20100010020-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE3A XDH 226/4885PI4KA 453/4885PI4K2B 674/4885

“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.