SCHEMBL3811219

SCHEMBL3811219

CCN1CCC2(CCNCC2)C1

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.76
KDM1A O60341 1/20 0.48
MAOB P27338 1/20 0.48
RCOR1 Q9UKL0 1/20 0.48
ALDH1A1 P00352 3/20 0.43
CYP2C19 P33261 2/20 0.43
MEN1 O00255 2/20 0.43
CYP2C9 P11712 2/20 0.43
KMT2A Q03164 2/20 0.43
HIF1A Q16665 1/20 0.43
CYP2D6 P10635 10/20 0.42
USP2 O75604 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HPGD P15428 1/20 0.41
CYP3A4 P08684 3/20 0.41
ALOX15 P16050 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL20353639 0.88 TSHR (0.61) TSHRKDM1AMAOBRCOR1ALDH1A1
SCHEMBL1509491 0.88 TSHR (0.96) TSHRKDM1AMAOBRCOR1ALDH1A1
SCHEMBL10268129 0.87 TSHR (0.63) TSHRKDM1AMAOBRCOR1ALDH1A1
Hydrochloric Acid SCHEMBL9689647 0.86 TSHR (1.00) TSHRKDM1AMAOBRCOR1ALDH1A1
SCHEMBL10128587 0.85 TSHR (0.60) TSHRKDM1AMAOBRCOR1ALDH1A1
SCHEMBL10296343 0.84
SCHEMBL22359000 0.84 TSHR (0.59) TSHRKDM1AMAOBRCOR1SMN1; SMN2
SCHEMBL10263100 0.84 TSHR (0.56) TSHRKDM1AMAOBRCOR1ALDH1A1
SCHEMBL15221484 0.82 TSHR (0.61) TSHRMEN1KMT2ACYP2D6CYP3A4
SCHEMBL9851688 0.81 TSHR (0.72) TSHRKDM1AMAOBRCOR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220395576-A1 MODULATORS OF BCL6 PROTEOLYSIS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2022-12-15 US disclosed
US-20220119396-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2022-04-21 US disclosed
WO-2021225969-A1 IMINO SULFANONE INHIBITORS OF ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2021-11-11 WO disclosed
WO-2021077010-A1 BIFUNCTIONAL MOLECULES CONTAINING AN E3 UBIQUITINE LIGASE BINDING MOIETY LINKED TO A BCL6 TARGETING MOIETY ARVINAS OPERATIONS, INC. (US) 2021-04-22 WO disclosed
WO-2018053447-A1 PIPERAZINE CARBAMATES AND METHODS OF MAKING AND USING SAME ABIDE THERAPEUTICS, INC. (US) 2018-03-22 WO disclosed
US-20170037059-A1 GYRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-02-09 US disclosed
WO-2017011776-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA, INC. (US) 2017-01-19 WO disclosed
US-8778935-B2 Imidazopyrazines for use as kinase inhibitors CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2014-07-15 US disclosed
US-8735411-B2 Macrocyclic benzofused pyrimidine derivatives ABBVIE INC. (US) 2014-05-27 US disclosed
US-20130053371-A1 INHIBITORS OF PI3 KINASE CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2013-02-28 US disclosed
US-8278313-B2 Macrocyclic spiro pyrimidine derivatives ABBOTT LABORATORIES (US) 2012-10-02 US disclosed
US-20120083492-A1 IMIDAZOPYRAZINES FOR USE AS KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2012-04-05 US disclosed
US-20090233904-A1 Macrocyclic Spiro Pyrimidine Derivatives ABBOTT LABORATORIES (US) 2009-09-17 US disclosed
US-20080188452-A1 Macrocyclic Benzofused Pyrimidine Derivatives ABBVIE INC. 2008-08-07 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 (7 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-20220119396-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, ROR1 TSHR 1588/4885KDM1A 1505/4885MAOB 2614/4885
US-20080188452-A1 Macrocyclic Benzofused Pyrimidine Derivatives DPYD, TYMS, UMPS TSHR 4607/4885KDM1A 2277/4885MAOB 736/4885
US-20130053371-A1 INHIBITORS OF PI3 KINASE PIK3CA, MTOR, PIK3C2A TSHR 2962/4885KDM1A 3412/4885MAOB 1215/4885
US-20170037059-A1 GYRASE INHIBITORS TOP1, CA7, TOP2B TSHR 2940/4885KDM1A 1215/4885MAOB 1457/4885
US-20090233904-A1 Macrocyclic Spiro Pyrimidine Derivatives DPYD, TYMS, TYMP TSHR 3556/4885KDM1A 4397/4885MAOB 2699/4885
US-20120083492-A1 IMIDAZOPYRAZINES FOR USE AS KINASE INHIBITORS MTOR, PIK3CA, PI4KA TSHR 990/4885KDM1A 1231/4885MAOB 4261/4885
US-20220395576-A1 MODULATORS OF BCL6 PROTEOLYSIS AND ASSOCIATED METHODS OF USE BCL6, BCL6B, BCL3 TSHR 3100/4885KDM1A 784/4885MAOB 2491/4885

“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.