Sugi Predict

Sugi Predict / Compounds / SCHEMBL2163965

SCHEMBL2163965

SCHEMBL2163965

CC(N)c1cc(Cl)c2ccccc2c1N1CCC(O)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.35
▸ HTR6 P50406 1/20 0.35
▸ HSD11B1 P28845 1/20 0.34
▸ GRM2 Q14416 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ SMO Q99835 1/20 0.33
▸ SLC40A1 Q9NP59 1/20 0.33
▸ SSTR2 P30874 1/20 0.33
▸ SMARCA2 P51531 1/20 0.33
▸ SMARCA4 P51532 1/20 0.33
▸ PBRM1 Q86U86 1/20 0.33
▸ PNMT P11086 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ PTPN11 Q06124 1/20 0.33
▸ AR P10275 1/20 0.33

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
SCHEMBL12632109 0.85 SLC40A1 (0.46) LMNACYP1A2CYP3A4SMOSLC40A1
SCHEMBL2011474 0.78 SLC40A1 (0.42) LMNACYP1A2CYP3A4SLC40A1TP53
SCHEMBL2040390 0.75 MAPT (0.40) GRM2CYP1A2SLC40A1PBRM1HTT
SCHEMBL2014048 0.74 TAAR1 (0.38) MAOBHTR6GRM2LMNACYP1A2
SCHEMBL9928743 0.73 PIK3CD (0.35) SMOPDE5APDCD1LG2CD274
SCHEMBL12631388 0.73 ALDH1A1 (0.41) LMNACYP1A2CYP3A4SSTR2TP53
SCHEMBL2164240 0.73 ALDH1A1 (0.41) LMNACYP1A2CYP3A4TP53HTT
SCHEMBL2018505 0.73 ALDH1A1 (0.44) LMNACYP1A2CYP3A4HTTNPSR1
SCHEMBL2164709 0.73 ALDH1A1 (0.41) LMNACYP1A2CYP3A4HTTNPSR1
SCHEMBL2014587 0.72 ALDH1A1 (0.42) LMNACYP1A2CYP3A4SLC40A1HTT

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-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-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
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

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 MAOB 1969/4885HTR6 1667/4885HSD11B1 670/4885

“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.