Sugi Predict

Sugi Predict / Compounds / SCHEMBL3752954

SCHEMBL3752954

SCHEMBL3752954

CN1CCN(Cc2ccc(-c3cncc(-c4cc(C(C)(C)C)nc(-c5ccccn5)n4)c3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ TNIK Q9UKE5 2/20 0.42
▸ DRD2 P14416 2/20 0.42
▸ DRD4 P21917 2/20 0.42
▸ DRD3 P35462 2/20 0.42
▸ CHKA P35790 2/20 0.42
▸ AKT1 P31749 6/20 0.42
▸ AKT2 P31751 6/20 0.42
▸ HIF1A Q16665 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ CFTR P13569 1/20 0.41
▸ KCNH2 Q12809 2/20 0.40
▸ ABL1 P00519 2/20 0.40
▸ KIT P10721 2/20 0.40
▸ ABL2 P42684 2/20 0.40
▸ TGFBR1 P36897 3/20 0.40
▸ ACVR1 Q04771 1/20 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
SCHEMBL3654129 0.87 TGFBR1 (0.41) TNIKCHKAABL1KITABL2
SCHEMBL2305188 0.85 TNIK (0.44) ALDH1A1SMN1; SMN2TNIKDRD2DRD4
SCHEMBL2235911 0.82 HRH4 (0.48) ALDH1A1SMN1; SMN2TNIKCHKAAKT1
SCHEMBL2237617 0.78 CFTR (0.41) TNIKAKT1AKT2CFTRKCNH2
SCHEMBL3725367 0.78 DRD2 (0.41) ALDH1A1DRD2DRD4DRD3KCNH2
SCHEMBL4167288 0.78 MAP3K11 (0.49) TNIKAKT1AKT2KCNH2ABL1
SCHEMBL2241844 0.77 TGFBR1 (0.45) ALDH1A1SMN1; SMN2DRD2DRD4DRD3
SCHEMBL3725907 0.77 TNIK (0.46) TNIKDRD2DRD4DRD3CHKA
SCHEMBL3659202 0.76 ABL1 (0.45) ALDH1A1SMN1; SMN2DRD2DRD4DRD3
SCHEMBL2237284 0.75 TGFBR1 (0.47) DRD2DRD4DRD3AKT1AKT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2231642-B1 PYRIMIDINES AS KINASE INHIBITORS NOVARTIS AG (CH) 2013-10-23 — — EP claimed
US-8431578-B2 Organic compounds NOVARTIS AG (CH) 2013-04-30 — — US claimed
US-20100298337-A1 Organic Compounds NOVARTIS AG (CH) 2010-11-25 — — US claimed
EP-2231642-B1 PYRIMIDINES AS KINASE INHIBITORS NOVARTIS AG (CH) 2013-10-23 — — EP disclosed
EP-2231642-B1 PYRIMIDINES AS KINASE INHIBITORS NOVARTIS AG (CH) 2013-10-23 — — EP disclosed
US-8431578-B2 Organic compounds NOVARTIS AG (CH) 2013-04-30 — — US disclosed
US-8431578-B2 Organic compounds NOVARTIS AG (CH) 2013-04-30 — — US disclosed
US-8431578-B2 Organic compounds NOVARTIS AG (CH) 2013-04-30 — — US disclosed
US-20100298337-A1 Organic Compounds NOVARTIS AG (CH) 2010-11-25 — — US disclosed
US-20100298337-A1 Organic Compounds NOVARTIS AG (CH) 2010-11-25 — — US disclosed
US-20100298337-A1 Organic Compounds NOVARTIS AG (CH) 2010-11-25 — — US disclosed
WO-2009087224-A1 PYRIMIDINES AS KINASE INHIBITORS NOVARTIS AG (CH) 2009-07-16 — — 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-20100298337-A1 Organic Compounds CYP11B2, TNNT2, CPT1B ALDH1A1 501/4885SMN1; SMN2 385/4885TNIK 3396/4885

“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.