SCHEMBL3343756

SCHEMBL3343756

Cc1nc(Cl)c(N)c(NC2CN(C(=O)OC(C)(C)C)C2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EHMT2 Q96KQ7 1/20 0.39
▸ BTK Q06187 2/20 0.38
▸ PIM1 P11309 1/20 0.38
▸ PIM2 Q9P1W9 1/20 0.38
▸ CNR1 P21554 2/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ USP30 Q70CQ3 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ GPR119 Q8TDV5 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ TLR8 Q9NR97 1/20 0.36
▸ KCNK3 O14649 1/20 0.36
▸ KCNK9 Q9NPC2 1/20 0.36
▸ NAMPT P43490 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
SCHEMBL28474913 0.81 BTK (0.46) EHMT2BTKCNR1CNR2USP30
SCHEMBL3700678 0.76 ALDH1A1 (0.52) EHMT2BTKCNR1CNR2GPR119
SCHEMBL4572401 0.76 ALDH1A1 (0.50) EHMT2BTKCNR1CNR2USP30
SCHEMBL23090042 0.75 MEN1 (0.44) EHMT2BTKPIM1PIM2CNR1
SCHEMBL29736622 0.75 MEN1 (0.44) EHMT2BTKPIM1PIM2CNR1
SCHEMBL16826782 0.75 BTK (0.41) EHMT2BTKUSP30POLBNPC1
SCHEMBL3403790 0.75 PIK3CA (0.43) BTK
SCHEMBL17196811 0.73 STK17B (0.48) EHMT2BTKPIM1PIM2CNR1
SCHEMBL30841705 0.73 ALDH1A1 (0.49) EHMT2BTKPIM1PIM2CNR1
SCHEMBL3775852 0.72 HSP90AA1 (0.47) EHMT2PIM1PIM2POLBNPC1

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
EP-2379555-B1 PURINE COMPOUNDS LILLY CO ELI (US) 2015-02-25 — — EP disclosed
EP-2379555-B1 PURINE COMPOUNDS LILLY CO ELI (US) 2015-02-25 — — EP disclosed
US-8252798-B2 Purine compounds ELI LILLY AND COMPANY (US) 2012-08-28 — — US disclosed
US-8252798-B2 Purine compounds ELI LILLY AND COMPANY (US) 2012-08-28 — — US disclosed
US-8252798-B2 Purine compounds ELI LILLY AND COMPANY (US) 2012-08-28 — — US disclosed
WO-2010080306-A1 PURINE COMPOUNDS ELI LILLY AND COMPANY (US) 2010-07-15 — — WO disclosed
US-20100160288-A1 Purine Compounds ELI LILLY AND COMPANY 2010-06-24 — — US disclosed
US-20100160288-A1 Purine Compounds ELI LILLY AND COMPANY 2010-06-24 — — US disclosed
US-20100160288-A1 Purine Compounds ELI LILLY AND COMPANY 2010-06-24 — — 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-20100160288-A1 Purine Compounds P2RX1, P2RX7, P2RX5 EHMT2 4553/4885BTK 3918/4885PIM1 4135/4885

“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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