SCHEMBL20168263

SCHEMBL20168263

CC[C@@H]1C[C@H]1C(=O)N[C@@H](C)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.60
KCNQ3 O43525 2/20 0.59
KCNQ2 O43526 2/20 0.59
USP2 O75604 1/20 0.54
ALOX15 P16050 1/20 0.54
HPGD P15428 2/20 0.53
LMNA P02545 2/20 0.53
GAA P10253 1/20 0.53
CYP3A4 P08684 1/20 0.52
TSHR P16473 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
KCNQ4 P56696 1/20 0.50
KCNQ5 Q9NR82 1/20 0.50
EPHX1 P07099 2/20 0.49
NPC1 O15118 1/20 0.49
POLB P06746 2/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL20168552 1.00 RECQL (0.60) RECQLKCNQ3KCNQ2USP2ALOX15
SCHEMBL20168550 1.00 RECQL (0.60) RECQLKCNQ3KCNQ2USP2ALOX15
SCHEMBL20168265 1.00 RECQL (0.60) RECQLKCNQ3KCNQ2USP2ALOX15
SCHEMBL27284162 0.85 LMNA (0.51) RECQLKCNQ3KCNQ2LMNAGAA
SCHEMBL27748279 0.85 RECQL (0.56) RECQLKCNQ3KCNQ2USP2ALOX15
SCHEMBL1289727 0.80 RECQL (0.51) RECQLKCNQ3KCNQ2USP2ALOX15
SCHEMBL14244778 0.80 RECQL (0.60) RECQLKCNQ3KCNQ2USP2ALOX15
SCHEMBL9416492 0.80 RECQL (0.60) RECQLKCNQ3KCNQ2USP2ALOX15
SCHEMBL14244992 0.80 RECQL (0.60) RECQLKCNQ3KCNQ2USP2ALOX15
SCHEMBL14244825 0.80 RECQL (0.60) RECQLKCNQ3KCNQ2USP2ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11001586-B2 Alkyl pyrrolopyrimidine analogs and methods of making and using same THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2021-05-11 US disclosed
US-11001586-B2 Alkyl pyrrolopyrimidine analogs and methods of making and using same THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2021-05-11 US disclosed
US-20200062764-A1 ALKYL PYRROLOPYRIMIDINE ANALOGS AND METHODS OF MAKING AND USING SAME THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2020-02-27 US disclosed
US-20200062764-A1 ALKYL PYRROLOPYRIMIDINE ANALOGS AND METHODS OF MAKING AND USING SAME THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2020-02-27 US disclosed
EP-3541391-A1 ALKYL PYRROLOPYRIMIDINE ANALOGS AND METHODS OF MAKING AND USING SAME The University of North Carolina at Chapel Hill (US) 2019-09-25 EP disclosed
WO-2018094227-A1 ALKYL PYRROLOPYRIMIDINE ANALOGS AND METHODS OF MAKING AND USING SAME THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2018-05-24 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 (2 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-11001586-B2 Alkyl pyrrolopyrimidine analogs and methods of making and using same TYRO3, MERTK, LCK RECQL 4184/4885KCNQ3 3916/4885KCNQ2 4042/4885
US-20200062764-A1 ALKYL PYRROLOPYRIMIDINE ANALOGS AND METHODS OF MAKING AND USING SAME TYRO3, MERTK, LCK RECQL 4184/4885KCNQ3 3916/4885KCNQ2 4042/4885

“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.