SCHEMBL18935599

SCHEMBL18935599

CCCCCCC(CCCCCC)c1ncnc2[nH]ncc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.48
▸ CYP1A2 P05177 2/20 0.45
▸ PDPK1 O15530 2/20 0.43
▸ RET P07949 1/20 0.42
▸ PI4KA P42356 1/20 0.42
▸ XDH P47989 1/20 0.42
▸ LRRK2 Q5S007 1/20 0.42
▸ PI4K2B Q8TCG2 1/20 0.42
▸ PI4K2A Q9BTU6 1/20 0.42
▸ PI4KB Q9UBF8 1/20 0.42
▸ CHEK1 O14757 1/20 0.42
▸ AURKA O14965 1/20 0.42
▸ TP53 P04637 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MAPK1 P28482 2/20 0.38
▸ HPGDS O60760 1/20 0.38
▸ AKT2 P31751 1/20 0.37
▸ MKNK1 Q9BUB5 2/20 0.37
▸ CCNT1 O60563 1/20 0.37
▸ CCNA2 P20248 1/20 0.37

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
SCHEMBL18935598 0.77 JAK2 (0.45) HPGDS
SCHEMBL18935462 0.74 ADA (0.33) ALDH1A1CYP1A2ADAKDRLMNA
SCHEMBL19592911 0.72 PAK1 (0.35) ALDH1A1CYP1A2ADAKDRLMNA
SCHEMBL19592909 0.72 PAK1 (0.35) ALDH1A1CYP1A2ADAKDRLMNA
SCHEMBL22918311 0.71 SMN1; SMN2 (0.54) ALDH1A1CYP1A2PI4KALRRK2PI4K2B
SCHEMBL24656775 0.70 ALDH1A1 (0.47) ALDH1A1CYP1A2PDPK1RETPI4KA
SCHEMBL18935465 0.70 PI4KA (0.35) ALDH1A1CYP1A2PI4KAPI4K2BPI4K2A
SCHEMBL18935463 0.70 PAK1 (0.33) ALDH1A1CYP1A2ADAKDRLMNA
SCHEMBL21442708 0.70 XDH (0.52) ALDH1A1CYP1A2PDPK1RETPI4KA
SCHEMBL22436033 0.69 SMN1; SMN2 (0.51) ALDH1A1CYP1A2PI4KALRRK2PI4K2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9815839-B2 N-(1-(substituted-phenyl)ethyl)-9H-purin-6-amines as PI3K inhibitors INCYTE CORPORATION (US) 2017-11-14 — — US disclosed
US-20170158696-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS INCYTE CORPORATION 2017-06-08 — — 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 (1 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-20170158696-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PI4KB ALDH1A1 3828/4885CYP1A2 4112/4885PDPK1 37/4885

“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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