SCHEMBL6648490

SCHEMBL6648490

c1ccc2c(c1)nc1c3ccc[nH]c3ccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.52
MAPK10 P53779 3/20 0.46
RIPK1 Q13546 1/20 0.46
MAPK8 P45983 1/20 0.44
MAPK9 P45984 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
CASP1 P29466 2/20 0.43
CASP7 P55210 2/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
CYP3A4 P08684 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL4488345 0.77 DYRK1A (0.51) DYRK1AMAPK10RIPK1MAPK8MAPK9
SCHEMBL4502534 0.77 MAPK10 (0.57) DYRK1AMAPK10RIPK1MAPK8MAPK9
SCHEMBL8058607 0.75 DYRK1A (0.49) DYRK1ASMN1; SMN2CASP1CASP7TP53
SCHEMBL4500096 0.71 CYP3A4 (0.69) DYRK1ASMN1; SMN2CASP1CASP7NPC1
SCHEMBL19445500 0.71 GPR3 (0.58) MAPK10RIPK1SMN1; SMN2CASP1CASP7
SCHEMBL4496612 0.70 RAD52 (0.50) DYRK1ASMN1; SMN2CASP1CASP7NPC1
SCHEMBL4502743 0.70 RAD52 (0.54) DYRK1ASMN1; SMN2CASP1CASP7TP53
SCHEMBL22534716 0.68 MAPK10 (0.50) MAPK10RIPK1SMN1; SMN2CASP1CASP7
SCHEMBL4503223 0.68 MAPK10 (0.50) MAPK10RIPK1MAPK8MAPK9NPC1
SCHEMBL22534717 0.67 KDM4E (0.56) MAPK10RIPK1NPC1RAB9ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040186132-A1 Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED 2004-09-23 US disclosed
EP-1043325-B1 Steroid receptor modulator compounds and methods LIGAND PHARM INC (US) 2004-06-16 EP disclosed
US-6696459-B1 USING HIGH AFFINITY, HIGH SELECTIVITY QUINOLINE DERIVATIVESW LIGAND PHARMACEUTICALS INC. 2004-02-24 US disclosed
EP-1382597-A2 Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS, INC. (US) 2004-01-21 EP disclosed
EP-0800519-B1 STEROID RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARM INC (US) 2003-10-22 EP disclosed
US-6448405-B1 COUPLING A 2-HALO-5-NITROBENZOIC ACID AND A 2-METHOXYPHENYL BORONIC ACID; CYCLIZING TO A NITROBENZOCOUMARIN; REDUCING TO THE AMINE; CONVERTING TO A COUMARINO(3,4-F)QUINOLINE; REDUCTION TO A 5H-CHROMENO(3,4-F)QUINOLINE LIGAND PHARMACEUTICALS INCORPORATED 2002-09-10 US disclosed
EP-1043325-A1 Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2000-10-11 EP disclosed
EP-1043326-A1 Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2000-10-11 EP disclosed
EP-1043315-A1 Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2000-10-11 EP disclosed
EP-1041071-A1 Methods for the preparation of coumarine derivatives LIGAND PHARMACEUTICALS INCORPORATED (US) 2000-10-04 EP disclosed
EP-1041066-A1 Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2000-10-04 EP disclosed
US-6121450-A NON-STEROIDAL COMPOUNDS WHICH ARE HIGH AFFINITY, HIGH SELECTIVITY MODULATORS FOR STEROID RECEPTORS LIGAND PHARMACEUTICALS INCORPORATED (US) 2000-09-19 US disclosed
US-6093821-A MAKING 6-(PHENYL OR HETEROARYL)-1,2-DIHYDRO-N-1-PROTECTED QUINOLINE BY REACTING THE CORRESPONDING 6-HALO-DERIVATIVE WITH AN ORGANOBORATE AND ACID TREATMENT TO FORM THE 6-BORO-DERIVATIVE, COUPLING WITH PHENYL OR HETEROARYL HALIDE LIGAND PHARMACEUTICALS INCORPORATED (US) 2000-07-25 US disclosed
US-5994544-A PRODUCING A 5H-CHROMENO(3,4-F)QUINOLINE LIGAND PHARMACEUTICALS INCORPORATED (US) 1999-11-30 US disclosed
EP-0800519-A1 STEROID RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS, INC. (US) 1997-10-15 EP disclosed
WO-1996019458-A2 STEROID RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 1996-06-27 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 (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-20040186132-A1 Steroid receptor modulator compounds and methods NR5A1, ESRRA, NR3C2 DYRK1A 4166/4885MAPK10 2031/4885RIPK1 2310/4885

“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.