SCHEMBL11943226

SCHEMBL11943226

CC1(C)C(C(=O)N2CCN(c3cnn(-c4ccccc4)c(=O)c3NCc3cccnc3)CC2)C1(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DCTPP1 Q9H773 3/20 0.44
▸ VNN1 O95497 3/20 0.41
▸ LMNA P02545 4/20 0.41
▸ ALDH1A1 P00352 6/20 0.41
▸ MAPT P10636 3/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ NPBWR1 P48145 1/20 0.40
▸ MCHR1 Q99705 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ POLB P06746 1/20 0.40

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
SCHEMBL13329325 0.83 ALDH1A1 (0.51) DCTPP1VNN1LMNAALDH1A1MAPT
SCHEMBL11943222 0.83 DCTPP1 (0.51) DCTPP1VNN1LMNAALDH1A1MAPT
SCHEMBL11943132 0.81 MAPT (0.46) DCTPP1VNN1LMNAALDH1A1MAPT
SCHEMBL11943162 0.80 SMN1; SMN2 (0.41) DCTPP1VNN1LMNAALDH1A1MAPT
SCHEMBL11943190 0.78 ALDH1A1 (0.48) DCTPP1LMNAALDH1A1MAPTKDM4E
SCHEMBL11953028 0.78 ALDH1A1 (0.44) DCTPP1VNN1LMNAALDH1A1MAPT
SCHEMBL11943112 0.78 DCTPP1 (0.43) DCTPP1VNN1LMNAALDH1A1MAPT
SCHEMBL11943257 0.77 MAPT (0.48) DCTPP1LMNAALDH1A1MAPTKDM4E
SCHEMBL11943292 0.77 MAPT (0.50) DCTPP1LMNAALDH1A1MAPTNPSR1
SCHEMBL11943117 0.76 ALDH1A1 (0.47) DCTPP1VNN1LMNAALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8232274-B2 Pyridazinone derivatives useful as glucan synthase inhibitors ALBANY MOLECULAR RESEARCH, INC. (US) 2012-07-31 — — US disclosed
US-8232274-B2 Pyridazinone derivatives useful as glucan synthase inhibitors ALBANY MOLECULAR RESEARCH, INC. (US) 2012-07-31 — — US disclosed
US-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS SCHERING CORPORATION (US) 2010-06-24 — — US disclosed
US-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS SCHERING CORPORATION (US) 2010-06-24 — — US disclosed
US-20090170861-A1 Pyridazinone Derivatives Useful as Glucan Synthase Inhibitors SCHERING CORPORATION AND ALBANY MOLECULAR RESEARCH, INC. 2009-07-02 — — US disclosed
US-20090170861-A1 Pyridazinone Derivatives Useful as Glucan Synthase Inhibitors SCHERING CORPORATION AND ALBANY MOLECULAR RESEARCH, INC. 2009-07-02 — — 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 (2 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-20090170861-A1 Pyridazinone Derivatives Useful as Glucan Synthase Inhibitors MAN2A1, GYS2, MANBA DCTPP1 625/4885VNN1 417/4885LMNA 929/4885
US-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS DPM1, GMPS, MAN2A1 DCTPP1 209/4885VNN1 392/4885LMNA 1760/4885

“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.

Send feedback