SCHEMBL621960

SCHEMBL621960

CCOc1ccc2nccnc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.58
MAPT P10636 4/20 0.58
MEN1 O00255 4/20 0.58
POLB P06746 1/20 0.58
RAB9A P51151 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
GAA P10253 1/20 0.55
NQO1 P15559 1/20 0.52
TSHR P16473 4/20 0.49
ALDH1A1 P00352 3/20 0.49
HSD17B10 Q99714 3/20 0.49
TP53 P04637 2/20 0.49
CYP3A4 P08684 1/20 0.49
CBFB Q13951 1/20 0.44
HPGD P15428 3/20 0.44
KDM4E B2RXH2 3/20 0.44
NPC1 O15118 3/20 0.44
LMNA P02545 3/20 0.44
USP2 O75604 1/20 0.44
NFKB1 P19838 1/20 0.44

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
SCHEMBL622641 0.84 FGFR1 (0.48) KMT2AMAPTMEN1POLBRAB9A
SCHEMBL621166 0.79 SLC22A12 (0.47) KMT2AMAPTMEN1POLBRAB9A
SCHEMBL29550130 0.78 KDM4E (0.56) KMT2AMAPTMEN1POLBRAB9A
SCHEMBL622115 0.78 KDM4E (0.56) KMT2AMAPTMEN1POLBRAB9A
SCHEMBL19122690 0.78 KMT2A (0.51) KMT2AMAPTMEN1POLBRAB9A
SCHEMBL169529 0.77 MAPT (0.47) KMT2AMAPTMEN1POLBRAB9A
SCHEMBL4215653 0.77 CYP3A4 (0.64) KMT2AMAPTMEN1RAB9ANQO1
SCHEMBL30181876 0.77 CYP3A4 (0.64) KMT2AMAPTMEN1RAB9ANQO1
SCHEMBL826938 0.77 ALDH1A1 (0.55) KMT2AMAPTPOLBRAB9ASMN1; SMN2
SCHEMBL30186242 0.77 LMNA (0.56) KMT2AMAPTPOLBSMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200140456-A1 N/O-LINKED DEGRONS AND DEGRONIMERS FOR PROTEIN DEGRADATION C4 THERAPEUTICS, INC. (US) 2020-05-07 US disclosed
US-9133219-B2 Bicyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2015-09-15 US disclosed
US-20150080373-A1 NOVEL BICYCLIC ANTIBIOTICS Basiliea Pharmaceutica AG 2015-03-19 US disclosed
US-8927542-B2 Bicyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2015-01-06 US disclosed
US-20140221348-A1 NOVEL BICYCLIC ANTIBIOTICS BASILEA PHARMACEUTICA AG (CH) 2014-08-07 US disclosed
US-8716280-B2 Bicyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2014-05-06 US disclosed
US-20120040957-A1 Novel Bicyclic Antibiotics BASILEA PHARMACEUTICA AG 2012-02-16 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-20120040957-A1 Novel Bicyclic Antibiotics C5, C1S, CBR3 KMT2A 3611/4885MAPT 4872/4885MEN1 907/4885
US-20140221348-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH KMT2A 3261/4885MAPT 4699/4885MEN1 2968/4885
US-20150080373-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH KMT2A 3261/4885MAPT 4699/4885MEN1 2968/4885
US-20200140456-A1 N/O-LINKED DEGRONS AND DEGRONIMERS FOR PROTEIN DEGRADATION CRBN, CBL, STUB1 KMT2A 1996/4885MAPT 3822/4885MEN1 562/4885

“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.