SCHEMBL19196263

SCHEMBL19196263

Cc1ccc(-c2cc(C(F)(F)F)nc(-n3cnc(-c4cccc(N)c4)c3)n2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 6/20 0.49
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HPGD P15428 4/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
PTGS2 P35354 2/20 0.40
MAPT P10636 1/20 0.40
CYP2D6 P10635 1/20 0.40
HSD17B10 Q99714 3/20 0.40
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 2/20 0.39
MAPK1 P28482 1/20 0.39
PTGS1 P23219 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL17336831 0.91 HSP90AA1 (0.42) HSP90AA1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL19196308 0.87 PTGS2 (0.48) HSP90AA1ALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL3568545 0.81 XDH (0.42) HSP90AA1ALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL3566709 0.80 SMN1; SMN2 (0.46) HSP90AA1ALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL3564026 0.78 ADORA2A (0.43) ALDH1A1KDM4ESMN1; SMN2HPGDCYP1A2
SCHEMBL17336835 0.78 PTGS2 (0.41) HSP90AA1ALDH1A1KDM4ESMN1; SMN2PTGS2
SCHEMBL3562152 0.78 KDM4E (0.39) HSP90AA1ALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL2401733 0.78 KDM4E (0.42) HSP90AA1ALDH1A1KDM4ESMN1; SMN2PTGS2
SCHEMBL3570036 0.78 SMN1; SMN2 (0.47) ALDH1A1KDM4ESMN1; SMN2HPGDCYP1A2
SCHEMBL3560715 0.77 KDM4E (0.40) HSP90AA1ALDH1A1KDM4ESMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200347021-A1 METABOTROPIC GLUTAMATE RECEPTOR NEGATIVE ALLOSTERIC MODULATORS (NAMS) AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute 2020-11-05 US disclosed
US-10597367-B2 Metabotropic glutamate receptor negative allosteric modulators (NAMs) and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2020-03-24 US disclosed
US-20190016715-A1 METABOTROPIC GLUTAMATE RECEPTOR NEGATIVE ALLOSTERIC MODULATORS (NAMS) AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-01-17 US disclosed
US-9969726-B2 Metabotropic glutamate receptor negative allosteric modulators (NAMS) and uses thereof SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2018-05-15 US disclosed
US-20170217951-A1 Metabotropic Glutamate Receptor Negative Allosteric Modulators (NAMS) and Uses Thereof SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2017-08-03 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 (4 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-20200347021-A1 METABOTROPIC GLUTAMATE RECEPTOR NEGATIVE ALLOSTERIC MODULATORS (NAMS) AND USES THEREOF GRM3, GRM2, GRM1 HSP90AA1 3901/4885ALDH1A1 4541/4885KDM4E 2181/4885
US-20170217951-A1 Metabotropic Glutamate Receptor Negative Allosteric Modulators (NAMS) and Uses Thereof GRM3, GRM2, GRM1 HSP90AA1 3901/4885ALDH1A1 4541/4885KDM4E 2181/4885
US-20190016715-A1 METABOTROPIC GLUTAMATE RECEPTOR NEGATIVE ALLOSTERIC MODULATORS (NAMS) AND USES THEREOF GRM3, GRM2, GRM1 HSP90AA1 3901/4885ALDH1A1 4541/4885KDM4E 2181/4885
US-10597367-B2 Metabotropic glutamate receptor negative allosteric modulators (NAMs) and uses thereof GRM3, GRM2, GRM1 HSP90AA1 3901/4885ALDH1A1 4541/4885KDM4E 2181/4885

“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.