SCHEMBL953696

SCHEMBL953696

Cn1c(=O)c2ncn(C3CCCC3)c2n(C)c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
ADORA2A P29274 4/20 0.49
HCAR1 Q9BXC0 4/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PI4KA P42356 3/20 0.40
PI4K2B Q8TCG2 3/20 0.40
PI4K2A Q9BTU6 3/20 0.40
PI4KB Q9UBF8 3/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADORA1 P30542 1/20 0.40
MAPT P10636 1/20 0.40
GRM5 P41594 3/20 0.39
GRM1 Q13255 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 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
SCHEMBL3171115 0.79 ADORA2A (0.55) LMNAADORA2AALDH1A1TSHRHSD17B10
SCHEMBL431906 0.76 ADORA2A (0.57) LMNAADORA2AADORA3ADORA1MAPT
Isocaffiene SCHEMBL515995 0.73 LMNA (0.57) LMNAADORA2AALDH1A1KDM4ERAB9A
SCHEMBL7437145 0.72 GRIA1 (0.45) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL7436592 0.72 GRIA1 (0.45) ADORA2AALDH1A1KDM4ENPC1TSHR
SCHEMBL8136340 0.70 LMNA (0.54) LMNAADORA2AALDH1A1KDM4ETSHR
SCHEMBL3272841 0.70 LMNA (0.54) LMNAADORA2AALDH1A1KDM4EHSD17B10
SCHEMBL1962417 0.69 LMNA (0.69) LMNAADORA2AALDH1A1KDM4ERAB9A
SCHEMBL18256136 0.69 ADORA2B (0.60) LMNAADORA2AADORA3ADORA1MAPT
SCHEMBL23974581 0.68 LMNA (0.58) LMNAALDH1A1KDM4ETSHRRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011057199-A1 COMPOSITIONS FOR TREATING CNS DISORDERS ADENIOS, INC. (US) 2011-05-12 WO claimed
EP-1305328-A2 MATERIALS AND METHODS FOR BINDING NUCLEIC ACIDS TO SURFACES Lyles, Mark B. (US) 2003-05-02 EP claimed
WO-2002008237-A2 MATERIALS AND METHODS FOR BINDING NUCLEIC ACIDS TO SURFACES LYLES MARK B (US) 2002-01-31 WO claimed
US-20230035892-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER FLAGSHIP PIONEERING, INC. 2023-02-02 US disclosed
US-11274158-B2 Methods and compositions for treating inflammatory or autoimmune diseases or conditions using calcitonin receptor activators FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2022-03-15 US disclosed
US-20220033490-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER USING CHRNA6 INHIBITORS FLAGSHIP PIONEERING INNOVATIONS V INC (US) 2022-02-03 US disclosed
US-11208475-B1 Methods and compositions for treating inflammatory or autoimmune diseases or conditions using serotonin receptor activators FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2021-12-28 US disclosed
US-20210283217-A1 NEUROMODULATING COMPOSITIONS AND RELATED THERAPEUTIC METHODS FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES FLAGSHIP PIONEERING INNOVATIONS V, INC. 2021-09-16 US disclosed
US-11059886-B1 Methods and compositions for treating inflammatory or autoimmune diseases or conditions using GRM8 activators FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2021-07-13 US disclosed
US-20210177823-A1 NEUROMODULATING COMPOSITIONS AND RELATED THERAPEUTIC METHODS FOR THE TREATMENT OF CANCER FLAGSHIP PIONEERING INNOVATIONS V, INC. 2021-06-17 US disclosed
US-20210154272-A1 NEUROMODULATING COMPOSITIONS AND RELATED THERAPEUTIC METHODS FOR THE TREATMENT OF CANCER BY MODULATING AN ANTI-CANCER IMMUNE RESPONSE FLAGSHIP PIONEERING INNOVATIONS V, INC. 2021-05-27 US disclosed
US-11013717-B1 Methods and compositions for treating cancer using SERCA pump inhibitors FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2021-05-25 US disclosed
US-20190240293-A1 NEUROMODULATING COMPOSITIONS AND RELATED THERAPEUTIC METHODS FOR THE TREATMENT OF CANCER BY MODULATING AN ANTI-CANCER IMMUNE RESPONSE CYGNAL THERAPEUTICS, INC. 2019-08-08 US disclosed
US-20190233527-A1 METHODS AND COMPOSITIONS FOR TREATING INFLAMMATORY OR AUTOIMMUNE DISEASES OR CONDITIONS USING CALCITONIN RECEPTOR ACTIVATORS FLAGSHIP PIONEERING, INC. 2019-08-01 US disclosed
EP-2582374-A2 METHODS FOR TREATING NEUROLOGICAL CONDITIONS Afraxis, Inc. (US) 2013-04-24 EP disclosed
EP-2453896-A2 METHODS FOR TREATING SCHIZOPHRENIA Afraxis, Inc. (US) 2012-05-23 EP disclosed
WO-2011159945-A2 METHODS FOR TREATING NEUROLOGICAL CONDITIONS AFRAXIS, INC. (US) 2011-12-22 WO disclosed
WO-2011009097-A2 METHODS FOR TREATING SCHIZOPHRENIA AFRAXIS, INC. (US) 2011-01-20 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-20220033490-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER USING CHRNA6 INHIBITORS CHRNA6, CHRNA1, CHRNB1 LMNA 827/4885ADORA2A 90/4885HCAR1 183/4885

“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.