SCHEMBL4516105

SCHEMBL4516105

Cc1nn(C(C)(C)C)c2nc(C3CN(C(=O)Nc4ccc(F)cc4)C3)[nH]c(=O)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.49
NPSR1 Q6W5P4 2/20 0.48
TSHR P16473 1/20 0.48
MAPT P10636 5/20 0.43
ALDH1A1 P00352 3/20 0.43
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
MAPK1 P28482 2/20 0.41
HPGD P15428 2/20 0.41
USP2 O75604 1/20 0.41
CASP7 P55210 1/20 0.41
GRIN2B Q13224 4/20 0.39
CACNA1H O95180 1/20 0.39
PDE5A O76074 2/20 0.39
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL4521650 0.91 KHK (0.45) RXFP1NPSR1TSHRMAPTALDH1A1
SCHEMBL4498040 0.87 TSHR (0.41) RXFP1NPSR1TSHRMAPTALDH1A1
SCHEMBL4503727 0.85 SMN1; SMN2 (0.45) TSHRMAPTALDH1A1RAB9ANPC1
SCHEMBL4521006 0.84 KHK (0.58) NPSR1TSHRMAPTALDH1A1HPGD
SCHEMBL4521002 0.84 TSHR (0.49) NPSR1TSHRMAPTALDH1A1RAB9A
SCHEMBL13865738 0.83 KHK (0.41) RXFP1TSHRMAPTALDH1A1HPGD
SCHEMBL4510741 0.83 TSHR (0.47) NPSR1TSHRMAPTALDH1A1RAB9A
SCHEMBL4501430 0.79 USP2 (0.40) RAB9ANPC1USP2PDE5AKMT2A
SCHEMBL4509689 0.79 CYP1A2 (0.49) TSHRALDH1A1MAPK1HPGDUSP2
SCHEMBL13865754 0.79 KHK (0.40) RXFP1TSHRMAPTALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases GALAPAGOS NV (BE) 2009-05-28 US claimed
WO-2008055959-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2008-05-15 WO claimed
US-11166956-B2 Combinations of PDE1 inhibitors and NEP inhibitors INTRA-CELLULAR THERAPIES, INC. (US) 2021-11-09 US disclosed
US-20190275046-A1 NOVEL COMBINATION INTRA-CELLULAR THERAPIES, INC. (US) 2019-09-12 US disclosed
US-10285992-B2 Combinations of PDE1 inhibitors and NEP inhibitors and associated methods INTRA-CELLULAR THERAPIES, INC. (US) 2019-05-14 US disclosed
US-20160038494-A1 NOVEL COMBINATION INTRA-CELLULAR THERAPIES, INC. 2016-02-11 US disclosed
US-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases GALAPAGOS NV (BE) 2009-05-28 US disclosed
US-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases GALAPAGOS NV (BE) 2009-05-28 US disclosed
US-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases GALAPAGOS NV (BE) 2009-05-28 US disclosed
WO-2008055959-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2008-05-15 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 (5 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-20160038494-A1 NOVEL COMBINATION PDE5A, PDE2A, PDE3A RXFP1 175/4885NPSR1 1396/4885TSHR 3757/4885
US-10285992-B2 Combinations of PDE1 inhibitors and NEP inhibitors and associated methods PDE5A, PDE3A, PDE2A RXFP1 250/4885NPSR1 1386/4885TSHR 3845/4885
US-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases PDE4A, PDE7B, PDE4B RXFP1 1434/4885NPSR1 3656/4885TSHR 4657/4885
US-20190275046-A1 NOVEL COMBINATION PDE5A, PDE2A, PDE3A RXFP1 175/4885NPSR1 1396/4885TSHR 3757/4885
US-11166956-B2 Combinations of PDE1 inhibitors and NEP inhibitors PDE5A, ECE1, PDE3A RXFP1 189/4885NPSR1 1129/4885TSHR 3893/4885

“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.