Sugi Predict

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SCHEMBL855847

SCHEMBL855847

CC(C)(C)C(=O)Nc1ccc(-c2nc(Cl)cc(Cl)n2)cn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 2/20 0.57
▸ ADORA1 P30542 2/20 0.48
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ ABL1 P00519 4/20 0.46
▸ BCR P11274 3/20 0.46
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ PAX8 Q06710 1/20 0.40
▸ KLF5 Q13887 1/20 0.40
▸ PTK2 Q05397 1/20 0.40
▸ DEGS1 O15121 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ L3MBTL1 Q9Y468 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
SCHEMBL856713 0.83 CNR2 (0.45) KDRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL28455 0.76 PTK2 (0.67) KDRNPC1RAB9ATP53SMN1; SMN2
SCHEMBL27995832 0.76 KDR (0.57) KDRADORA1CYP1A2CYP3A4CYP2C9
SCHEMBL5125646 0.76 KDR (0.60) KDRADORA1CYP1A2CYP3A4CYP2C9
SCHEMBL3925763 0.73 KDR (0.47) KDRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7090884 0.72 DEGS1 (0.47) KDRADORA1CYP1A2CYP3A4CYP2C9
SCHEMBL12155537 0.72 STIM1 (0.55) KDRABL1BCRNPC1RAB9A
SCHEMBL15508495 0.71 PTK2 (0.59) ADORA1CYP1A2PTK2DEGS1L3MBTL1
SCHEMBL1721767 0.71 RAB9A (0.68) KDRNPC1RAB9AALDH1A1TP53
SCHEMBL15201632 0.71 DEGS1 (0.60) KDRNPC1RAB9APAX8KLF5

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-8173647-B2 PI 3-kinase inhibitors and methods of their use NOVARTIS AG (CH) 2012-05-08 — — US disclosed
US-8173647-B2 PI 3-kinase inhibitors and methods of their use NOVARTIS AG (CH) 2012-05-08 — — US disclosed
US-8173647-B2 PI 3-kinase inhibitors and methods of their use NOVARTIS AG (CH) 2012-05-08 — — US disclosed
EP-2118087-B1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2012-03-28 — — EP disclosed
EP-2118087-B1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2012-03-28 — — EP disclosed
US-20100048547-A1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2010-02-25 — — US disclosed
US-20100048547-A1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2010-02-25 — — US disclosed
US-20100048547-A1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2010-02-25 — — US disclosed
WO-2008098058-A1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2008-08-14 — — 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-20100048547-A1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE PI4KA, PI4KB, PI4K2A KDR 826/4885ADORA1 2891/4885CYP1A2 4501/4885

“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.