SCHEMBL13782273

SCHEMBL13782273

Cc1ccnc(C2(C)CC2)n1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.33
▸ UHRF1 Q96T88 1/20 0.32
▸ PIK3CD O00329 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ PIK3CB P42338 1/20 0.32
▸ PIK3CG P48736 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ CRBN Q96SW2 1/20 0.31
▸ RAB9A P51151 3/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ PKM P14618 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ CCR1 P32246 1/20 0.30
▸ CCR5 P51681 1/20 0.30

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
SCHEMBL26141704 0.82 GRM5 (0.32) ALOX15
SCHEMBL30997796 0.78 ALOX15 (0.32) ALOX15UHRF1KMT2AKDM4ENPSR1
SCHEMBL2141684 0.78 KMT2A (0.38) ALOX15UHRF1KMT2AKDM4ENPSR1
SCHEMBL24620454 0.75 CHRNA7 (0.34) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL22545193 0.75 CYP1A2 (0.41) ALOX15PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL24620396 0.75 SYK (0.34) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL27945168 0.73 — —
SCHEMBL30282350 0.73 GRM5 (0.32) —
SCHEMBL15888817 0.72 HDAC8 (0.30) —
SCHEMBL29155747 0.71 KMT2A (0.46) ALOX15KMT2AKDM4ERAB9AALDH1A1

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
WO-2020210380-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF NUVATION BIO INC. (US) 2020-10-15 — — WO disclosed
US-8940771-B2 Organic compounds NOVARTIS AG (CH) 2015-01-27 — — US disclosed
US-8940771-B2 Organic compounds NOVARTIS AG (CH) 2015-01-27 — — US disclosed
EP-2240475-B1 THIAZOLE DERIVATIVES USED AS PI 3 KINASE INHIBITORS NOVARTIS AG (CH) 2013-09-25 — — EP disclosed
WO-2009080694-A1 THIAZOLE DERIVATIVES USED AS PI 3 KINASE INHIBITORS NOVARTIS AG (CH) 2009-07-02 — — WO disclosed
US-20090163469-A1 Organic Compounds NOVARTIS AG 2009-06-25 — — US disclosed
US-20090163469-A1 Organic Compounds NOVARTIS AG 2009-06-25 — — US 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-20090163469-A1 Organic Compounds PIK3C3, PIK3CA, PIK3CD ALOX15 2664/4885UHRF1 4099/4885PIK3CD 3/4885

“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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