SCHEMBL6356783

SCHEMBL6356783

Cc1[nH]c2c(Cl)nccc2c1C(=O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.39
RXFP1 Q9HBX9 1/20 0.37
CYP19A1 P11511 1/20 0.35
CCNC P24863 2/20 0.33
CDK8 P49336 2/20 0.33
HASPIN Q8TF76 2/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
DHODH Q02127 2/20 0.31
KDM4C Q9H3R0 2/20 0.31
KDM5A P29375 2/20 0.31
KMT2A Q03164 2/20 0.31
MITF O75030 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RAB9A P51151 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
REN P00797 1/20 0.30
MAPT P10636 2/20 0.30
KDM4A O75164 1/20 0.30
KDM5B Q9UGL1 1/20 0.30

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
SCHEMBL1763903 0.82 DYRK1A (0.35) DYRK1ACYP19A1KMT2AALDH1A1MAPT
SCHEMBL7063087 0.80 DYRK1A (0.34) DYRK1ACYP19A1HASPINLMNASMN1; SMN2
SCHEMBL1763382 0.77 KDM5A (0.39) DYRK1ACYP19A1LMNAKDM4CKDM5A
SCHEMBL1737822 0.74 MAPT (0.47) DYRK1ARXFP1HASPINLMNASMN1; SMN2
SCHEMBL7063136 0.72 KDM4E (0.33) DYRK1ACYP19A1CCNCCDK8KDM4C
SCHEMBL1763552 0.71 ADRA2A (0.33)
SCHEMBL7058849 0.70 KDM5A (0.45) SMN1; SMN2KDM5AALDH1A1RAB9AKDM5B
SCHEMBL7058474 0.70 AURKA (0.42) ALDH1A1RAB9AMAPT
SCHEMBL2628866 0.70 KDM4C (0.44) DYRK1ARXFP1CYP19A1LMNASMN1; SMN2
SCHEMBL1763079 0.70 KMT2A (0.35) RXFP1LMNASMN1; SMN2KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160075703-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2016-03-17 US disclosed
US-20050261296-A1 Viricides, immunomodulators or HIV entry inhibitors; lymphadenopathy associated virus, human T-cell leukemia/lymphoma virus; AIDS VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2005-11-24 US disclosed
US-20030181463-A1 Antiviral azaindole derivatives VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2003-09-25 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 (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-20160075703-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IDO1, IDO2 DYRK1A 4382/4885RXFP1 4813/4885CYP19A1 1495/4885
US-20050261296-A1 Viricides, immunomodulators or HIV entry inhibitors; lymphadenopathy associated virus, human T-cell leukemia/lymphoma virus; AIDS MALT1, BCL6, CD4 DYRK1A 3663/4885RXFP1 4883/4885CYP19A1 1955/4885
US-20030181463-A1 Antiviral azaindole derivatives ZC3HAV1, MAVS, AZI2 DYRK1A 3956/4885RXFP1 4719/4885CYP19A1 2438/4885

“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.