SCHEMBL17450652

SCHEMBL17450652

Cc1ccc(NC(=O)CN2CCCC2)nc1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.57
MAPT P10636 1/20 0.57
NPC1 O15118 2/20 0.54
HPGD P15428 1/20 0.54
TSHR P16473 1/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
POLB P06746 1/20 0.54
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
WNT1 P04628 4/20 0.53
GSK3B P49841 4/20 0.53
DYRK1A Q13627 4/20 0.53
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL17450650 0.99 RAB9A (0.56) RAB9AMAPTNPC1HPGDTSHR
SCHEMBL17450648 0.89 ALDH1A1 (0.60) RAB9AMAPTTSHRMEN1KMT2A
SCHEMBL15986800 0.87 RAB9A (0.53) RAB9AMAPTNPC1TSHRMEN1
SCHEMBL21676988 0.87 RAB9A (0.53) RAB9AMAPTNPC1TSHRMEN1
SCHEMBL15743960 0.87 TSHR (0.72) TSHRMEN1KMT2AALDH1A1WNT1
SCHEMBL18998184 0.87 RAB9A (0.53) RAB9AMAPTNPC1TSHRMEN1
SCHEMBL21676901 0.86 KDM4E (0.58) RAB9AMAPTHPGDTSHRMEN1
SCHEMBL17409785 0.86 DRD4 (0.56) RAB9AMAPTNPC1TSHRMEN1
SCHEMBL15986799 0.85 WNT1 (0.56) RAB9AMAPTNPC1TSHRMEN1
SCHEMBL15986675 0.83 TSHR (0.52) NPC1TSHRKDM4EALDH1A1WNT1

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
US-10730878-B2 Fused quinoline compounds as PI3K/mTOR inhibitors Advenchen Pharmaceuticals, LLC (US) 2020-08-04 US disclosed
EP-3319602-B1 FUSED QUINOLINE COMPOUNDS AS PI3K/MTOR INHIBITORS ADVENCHEN PHARMACEUTICALS LLC (US) 2020-02-05 EP disclosed
EP-3169687-B1 FUSED QUINOLINE COMPUNDS AS PI3K, mTOR INHIBITORS ADVENCHEN PHARMACEUTICALS NANJING LTD (CN) 2019-01-02 EP disclosed
US-20180201613-A1 FUSED QUINOLINE COMPUNDS AS PI3K/mTOR INHIBITORS Advenchen Pharmaceuticals, LLC (US) 2018-07-19 US disclosed
US-20180201613-A1 FUSED QUINOLINE COMPUNDS AS PI3K/mTOR INHIBITORS Advenchen Pharmaceuticals, LLC (US) 2018-07-19 US disclosed
US-20170174687-A1 FUSED QUINOLINE COMPUNDS AS PI3K, mTOR INHIBITORS ADVENCHEN PHARMACEUTICALS NANJING LTD (CN) 2017-06-22 US disclosed
US-20170174687-A1 FUSED QUINOLINE COMPUNDS AS PI3K, mTOR INHIBITORS ADVENCHEN PHARMACEUTICALS NANJING LTD (CN) 2017-06-22 US disclosed
WO-2017011363-A1 FUSED QUINOLINE COMPUNDS AS PI3K/MTOR INHIBITORS Advenchen Pharmaceuticals, LLC (US) 2017-01-19 WO disclosed
WO-2016010869-A2 FUSED QUINOLINE COMPUNDS AS PI3K, mTOR INHIBITORS Advenchen Pharmaceuticals, LLC (US) 2016-01-21 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 (3 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-20170174687-A1 FUSED QUINOLINE COMPUNDS AS PI3K, mTOR INHIBITORS MTOR, RICTOR, PIK3CA RAB9A 168/4885MAPT 1744/4885NPC1 1601/4885
US-10730878-B2 Fused quinoline compounds as PI3K/mTOR inhibitors MTOR, RICTOR, PIK3CA RAB9A 178/4885MAPT 1886/4885NPC1 1565/4885
US-20180201613-A1 FUSED QUINOLINE COMPUNDS AS PI3K/mTOR INHIBITORS MTOR, RICTOR, PIK3CA RAB9A 217/4885MAPT 1748/4885NPC1 1623/4885

“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.