SCHEMBL2799766

SCHEMBL2799766

C[C@H]1CCc2c(ncnc2N2CCNCC2)N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 7/20 0.41
▸ DRD2 P14416 1/20 0.40
▸ TLR7 Q9NYK1 1/20 0.39
▸ HTT P42858 1/20 0.37
▸ GUSB P08236 1/20 0.37
▸ ADRB1 P08588 1/20 0.37
▸ CYP1A2 P05177 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ PTK2B Q14289 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35

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
SCHEMBL13686448 1.00 HTR2C (0.41) HTR2CDRD2TLR7HTTGUSB
SCHEMBL2800011 0.74 AKT1S1 (0.53) HTR2CDRD2
Hydrochloric Acid SCHEMBL2797277 0.72 AKT1S1 (0.52) HTR2CDRD2KDM4E
SCHEMBL679808 0.71 DRD2 (0.42) HTR2CDRD2TLR7HTTHTR2A
SCHEMBL22307577 0.71 AKT1 (0.46) HTR2CDRD2HTTCYP1A2CYP3A4
SCHEMBL13686454 0.71 LIMK1 (0.40) —
SCHEMBL18558947 0.71 HTR2C (0.37) HTR2CHTTCYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL192370 0.70 DRD2 (0.41) HTR2CDRD2TLR7HTTHTR2A
SCHEMBL22308710 0.70 AKT1 (0.50) HTR2CDRD2TLR7HTT
SCHEMBL30020844 0.70 AKT1 (0.50) HTR2CDRD2TLR7HTT

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-20160152576-A9 AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA, INC. (US) 2016-06-02 — — US disclosed
US-20140148436-A1 AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA, INC. (US) 2014-05-29 — — US disclosed
US-8680114-B2 AKT protein kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2014-03-25 — — US disclosed
US-20100168123-A1 AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. 2010-07-01 — — US disclosed
EP-1684694-A2 AKT PROTEIN KINASE INHIBITORS Array Biopharma, Inc. (US) 2006-08-02 — — EP disclosed
US-20050130954-A1 Serine/threonine protein kinase inhibitors; hyperproliferative disorder or inflammatory conditions; e.g. 4-(4-(2-amino-3-(p-chlorophenyl)-propionyl)-piperazin-1-yl)-quinazoline ARRAY BIOPHARMA INC. 2005-06-16 — — US disclosed
WO-2005051304-A2 AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2005-06-09 — — 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 (4 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-20100168123-A1 AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 HTR2C 2901/4885DRD2 4777/4885TLR7 4215/4885
US-20140148436-A1 AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 HTR2C 2901/4885DRD2 4777/4885TLR7 4215/4885
US-20160152576-A9 AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 HTR2C 2901/4885DRD2 4777/4885TLR7 4215/4885
US-20050130954-A1 Serine/threonine protein kinase inhibitors; hyperproliferative disorder or inflammatory conditions; e.g. 4-(4-(2-amino-3-(p-chlorophenyl)-propionyl)-piperazin-1-yl)-quinazoline MTOR, CDK2, CLK2 HTR2C 1779/4885DRD2 4562/4885TLR7 1718/4885

“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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