SCHEMBL16866554

SCHEMBL16866554

Cc1ccc(-n2nc3c(c2N)CCC3(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.38
ALDH1A1 P00352 4/20 0.38
NPC1 O15118 6/20 0.38
RAB9A P51151 6/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
LMNA P02545 5/20 0.36
PTGS2 P35354 2/20 0.36
SRC P12931 1/20 0.36
BRAF P15056 1/20 0.36
KDR P35968 1/20 0.36
TSHR P16473 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NFKB1 P19838 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
SCHEMBL13975434 0.87 SMN1; SMN2 (0.42) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL13858673 0.78 SMN1; SMN2 (0.40) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL16866552 0.75 MAPT (0.37) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL16866571 0.72 MEN1 (0.33) NPC1RAB9AMEN1KMT2A
SCHEMBL4882490 0.67 TSHR (0.49) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL19643165 0.66 ALDH1A1 (0.51) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL16486063 0.65 ALDH1A1 (0.54) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL12335137 0.65 ALDH1A1 (0.54) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL3170566 0.64 RAB9A (0.54) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL13454781 0.63 POLQ (0.35) MAPTALDH1A1NPC1RAB9AMEN1

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
EP-2875014-B1 ANTI-MUCUS DRUGS AND USES THEREFOR UNIV WASHINGTON (US) 2017-11-29 EP disclosed
US-9187470-B2 Anti-mucus drugs and uses therefor WASHINGTON UNIVERSITY (US) 2015-11-17 US disclosed
US-9187470-B2 Anti-mucus drugs and uses therefor WASHINGTON UNIVERSITY (US) 2015-11-17 US disclosed
US-20150183777-A1 ANTI-MUCUS DRUGS AND USES THEREFOR NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-07-02 US disclosed
US-20150183777-A1 ANTI-MUCUS DRUGS AND USES THEREFOR NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-07-02 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 (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-20150183777-A1 ANTI-MUCUS DRUGS AND USES THEREFOR MAPK13, MAPK11, MUC1 MAPT 4453/4885ALDH1A1 485/4885NPC1 2340/4885

“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.