SCHEMBL11922604

SCHEMBL11922604

COC(=O)c1cc(Oc2ncc(Cn3nccn3)cc2C(F)(F)F)ccc1NC(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ CFTR P13569 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ AAK1 Q2M2I8 1/20 0.34
▸ FPR2 P25090 1/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ P2RX3 P56373 1/20 0.34
▸ RIPK1 Q13546 2/20 0.33
▸ MAPK10 P53779 4/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ KCNH2 Q12809 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ MAPK8 P45983 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL11991472 0.93 KMT2A (0.34) KMT2AATMCFTRLMNAAAK1
SCHEMBL11992926 0.92 KMT2A (0.34) KMT2AATMCFTRLMNAAAK1
SCHEMBL11991524 0.91 KMT2A (0.34) KMT2AATMCFTRLMNAAAK1
SCHEMBL11991447 0.86 FGFR4 (0.37) KMT2AATMCFTRLMNASCN9A
SCHEMBL11922595 0.86 PTK2 (0.34) CFTRAAK1SCN9ARIPK1MAPK10
SCHEMBL13944249 0.86 CFTR (0.33) CFTRAAK1SCN9ARIPK1KDM4E
SCHEMBL11922603 0.86 CFTR (0.46) KMT2AATMCFTRLMNAAAK1
SCHEMBL11991470 0.85 DHODH (0.34) LMNAAAK1FPR2SCN9AP2RX3
SCHEMBL11922580 0.85 KDR (0.41) KDM4EKCNH2TSHRHCRTR1HCRTR2
SCHEMBL11992979 0.85 DHODH (0.35) LMNAAAK1FPR2SCN9AP2RX3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242140-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-14 — — US disclosed
US-8242140-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-14 — — US disclosed
US-20100190779-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 — — US disclosed
US-20100190779-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 — — US disclosed
WO-2009018657-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-12 — — 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-20100190779-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2H, POLR2E KMT2A 3082/4885ATM 4255/4885CFTR 982/4885

“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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