SCHEMBL13645970

SCHEMBL13645970

CCOC(=O)Cc1csc(N=C(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
MAPT P10636 2/20 0.55
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
TP53 P04637 2/20 0.54
ALDH1A1 P00352 5/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
HPGD P15428 2/20 0.49
GAA P10253 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CFTR P13569 2/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 2/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
G6PD P11413 1/20 0.47
ALOX15 P16050 1/20 0.47
ALOX12 P18054 1/20 0.47
MPI P34949 1/20 0.47

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
SCHEMBL4984430 0.83 HSD17B10 (0.47) LMNAMAPTALDH1A1CYP2C9CYP2C19
SCHEMBL24023419 0.76 CDC7 (0.40) LMNAMAPTMEN1KMT2ATP53
SCHEMBL15581471 0.76 LMNA (0.54) LMNAMAPTMEN1KMT2ATP53
SCHEMBL6311629 0.76 MAPT (0.66) LMNAMAPTMEN1KMT2ATP53
SCHEMBL11590078 0.74 MEN1 (0.70) LMNAMAPTMEN1KMT2ATP53
SCHEMBL11374166 0.74 LMNA (0.64) LMNAMAPTMEN1KMT2ATP53
SCHEMBL28206092 0.74 SMN1; SMN2 (0.46) LMNAMAPTMEN1KMT2ATP53
SCHEMBL30831449 0.73 LMNA (0.57) LMNAMAPTMEN1KMT2ATP53
SCHEMBL12071122 0.73 MEN1 (0.51) LMNAMAPTMEN1KMT2ATP53
SCHEMBL10755054 0.73 KMT2A (0.64) LMNAMAPTMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598243-B2 inhibit atherosclerotic lesion formation and pathological progression by impairing monocyte recruitment and differentiation in the arterial wall; antiinflammatory, anticarcinogenic agent; autoimmune diseases MERCK & CO., INC. (US) 2009-10-06 US disclosed
US-7598243-B2 inhibit atherosclerotic lesion formation and pathological progression by impairing monocyte recruitment and differentiation in the arterial wall; antiinflammatory, anticarcinogenic agent; autoimmune diseases MERCK & CO., INC. (US) 2009-10-06 US disclosed
US-7589085-B2 Tetrahydropyran heterocyclic cyclopentyl heteroaryl modulators of chemokine receptor activity MERCK & CO., INC. (US) 2009-09-15 US disclosed
US-7589085-B2 Tetrahydropyran heterocyclic cyclopentyl heteroaryl modulators of chemokine receptor activity MERCK & CO., INC. (US) 2009-09-15 US disclosed
US-7514431-B2 Piperidinyl cyclopentyl aryl benzylamide modulators of chemokine receptor activity MERCK & CO., INC. (US) 2009-04-07 US disclosed
US-7514431-B2 Piperidinyl cyclopentyl aryl benzylamide modulators of chemokine receptor activity MERCK & CO., INC. (US) 2009-04-07 US disclosed
US-7390803-B2 Tetrahydropyranyl cyclopentyl benzylamide modulators of chemokine receptor activity MERCK & CO., INC. (US) 2008-06-24 US disclosed
US-7390803-B2 Tetrahydropyranyl cyclopentyl benzylamide modulators of chemokine receptor activity MERCK & CO., INC. (US) 2008-06-24 US disclosed
US-20080081803-A1 Heterocyclic cyclopentyl tetrahydroisoquinoline and tetrahydropyridopyridine modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2008-04-03 US disclosed
US-20080081803-A1 Heterocyclic cyclopentyl tetrahydroisoquinoline and tetrahydropyridopyridine modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2008-04-03 US disclosed
US-20070117797-A1 Alkylamino, arylamino, and sulfonamido cyclopentyl amide modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2007-05-24 US disclosed
US-20070117797-A1 Alkylamino, arylamino, and sulfonamido cyclopentyl amide modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2007-05-24 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-20070117797-A1 Alkylamino, arylamino, and sulfonamido cyclopentyl amide modulators of chemokine receptor activity CCR7, ACKR3, CCR2 LMNA 4599/4885MAPT 4678/4885MEN1 4493/4885
US-20080081803-A1 Heterocyclic cyclopentyl tetrahydroisoquinoline and tetrahydropyridopyridine modulators of chemokine receptor activity CCR1, CCR5, CCR2 LMNA 3770/4885MAPT 4627/4885MEN1 3879/4885

“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.