Sugi Predict

Sugi Predict / Compounds / SCHEMBL2017420

SCHEMBL2017420

SCHEMBL2017420

CC(Nc1ncnc2[nH]cnc12)c1cc(Cl)c2cccnc2c1N1CCN(C(=O)c2cccc(F)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 4/20 0.50
▸ MAPT P10636 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ NPY2R P49146 1/20 0.38
▸ SLC40A1 Q9NP59 2/20 0.38
▸ BCL2 P10415 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ GAA P10253 2/20 0.38
▸ ATM Q13315 1/20 0.38
▸ TSHR P16473 2/20 0.37
▸ NTRK1 P04629 1/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ BCR P11274 1/20 0.37
▸ HPGD P15428 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
Trifluoroacetic Acid SCHEMBL2054020 0.96 PIK3CD (0.47) PIK3CDMAPTSMN1; SMN2HTTNPY2R
SCHEMBL2014633 0.93 PIK3CD (0.46) PIK3CDMAPTSLC40A1ALDH1A1L3MBTL1
SCHEMBL2017432 0.92 PIK3CD (0.42) PIK3CDMAPTHTTNPY2RSLC40A1
SCHEMBL2017857 0.90 PIK3CD (0.42) PIK3CDMAPTSMN1; SMN2HTTSLC40A1
SCHEMBL2015060 0.90 MEN1 (0.42) PIK3CDMAPTSMN1; SMN2HTTSLC40A1
Trifluoroacetic Acid SCHEMBL2054376 0.89 PIK3CD (0.41) PIK3CDMAPTNPY2RSLC40A1L3MBTL1
Trifluoroacetic Acid SCHEMBL2163822 0.89 PIK3CD (0.43) PIK3CDNPY2RSLC40A1ALDH1A1L3MBTL1
SCHEMBL2017026 0.88 PIK3CD (0.44) PIK3CDMAPTSMN1; SMN2HTTNPY2R
Trifluoroacetic Acid SCHEMBL2053153 0.87 PIK3CD (0.41) PIK3CDSMN1; SMN2SLC40A1L3MBTL1
Trifluoroacetic Acid SCHEMBL2054305 0.87 PIK3CD (0.40) PIK3CDMAPTSMN1; SMN2HTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680108-B2 Substituted fused aryl and heteroaryl derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2014-03-25 — — US claimed
US-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-07-28 — — US claimed
WO-2011075630-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-06-23 — — WO claimed
US-8680108-B2 Substituted fused aryl and heteroaryl derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2014-03-25 — — US disclosed
US-8680108-B2 Substituted fused aryl and heteroaryl derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2014-03-25 — — US disclosed
US-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-07-28 — — US disclosed
US-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-07-28 — — US disclosed
WO-2011075630-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-06-23 — — WO disclosed
WO-2011075630-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-06-23 — — WO 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-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS PIK3R1, PIK3R3, PIK3R2 PIK3CD 13/4885MAPT 4496/4885SMN1; SMN2 4640/4885

“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.