SCHEMBL7702158

SCHEMBL7702158

Nc1nc2nc[nH]c2c(=O)n1OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 6/20 0.53
CDK1 P06493 3/20 0.53
CCNB1 P14635 2/20 0.53
CCNA2 P20248 2/20 0.53
CDK2 P24941 2/20 0.53
CCNA1 P78396 2/20 0.53
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2D6 P10635 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
MGMT P16455 2/20 0.53
TSHR P16473 2/20 0.53
LMNA P02545 1/20 0.53
NFKB1 P19838 1/20 0.53
BLM P54132 1/20 0.53
PMP22 Q01453 1/20 0.53
CDC7 O00311 1/20 0.47
DBF4 Q9UBU7 1/20 0.47
PNP P00491 2/20 0.46

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
Hydrochloric Acid SCHEMBL18605740 0.99 PIN1 (0.52) PIN1CDK1CCNB1CCNA2CDK2
SCHEMBL17186533 0.81 SMN1; SMN2 (0.42) PIN1CDK1CCNB1CCNA2CDK2
SCHEMBL27775483 0.80 CDK1 (0.43) PIN1CDK1CCNB1CCNA2CDK2
Hydrochloric Acid SCHEMBL18605766 0.80 SMN1; SMN2 (0.42) PIN1CDK1CCNB1CCNA2CDK2
SCHEMBL8995752 0.80 PNP (0.41) PIN1CDK1CCNB1CCNA2CDK2
SCHEMBL17186555 0.79 PIK3CA (0.40) CDK2CYP1A2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL17186403 0.79 PNP (0.40) PIN1CDK1CCNB1CCNA2CDK2
SCHEMBL20970002 0.79 PIN1 (0.39) PIN1CDK1CCNB1CCNA2CDK2
SCHEMBL8583450 0.79 CDK1 (0.49) PIN1CDK1CCNB1CCNA2CDK2
Hydrochloric Acid SCHEMBL17186643 0.78 PIK3CA (0.39) CDK2CYP1A2CYP3A4CYP2D6CYP2C9

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170073331-A1 GUANIDINE COMPOUNDS AND USE THEREOF IMMUNOMET THERAPEUTICS INC. (US) 2017-03-16 US claimed
EP-3131877-A1 GUANIDINE COMPOUNDS AND USE THEREOF Immunomet Therapeutics Inc. (US) 2017-02-22 EP claimed
WO-2015160220-A1 GUANIDINE COMPOUNDS AND USE THEREOF HANALL BIOPHARMA CO., LTD. (KR) 2015-10-22 WO claimed
US-5525726-A Process for the preparation of an antiviral agent E. R. SQUIBB & SONS, INC. (US) 1996-06-11 US claimed
US-5516903-A Process for preparing [IR-(1α,2β-3α)]-2-amino-9-[2,3-bis(hydroxymethyl)cyclobutyl]-1,9-dihydro-6H-purin-6-one E. R. SQUIBB & SONS, INC. (US) 1996-05-14 US claimed
CN-117924514-B Probe system for detecting cholesterol and application thereof 重庆医科大学 2025-04-04 CN disclosed
CN-117924514-A Probe system for detecting cholesterol and application thereof 重庆医科大学 2024-04-26 CN disclosed
EP-3131877-B1 BIGUANIDE COMPOUNDS IMMUNOMET THERAPEUTICS INC (US) 2023-07-19 EP disclosed
US-20170073331-A1 GUANIDINE COMPOUNDS AND USE THEREOF IMMUNOMET THERAPEUTICS INC. (US) 2017-03-16 US disclosed
EP-3131877-A1 GUANIDINE COMPOUNDS AND USE THEREOF Immunomet Therapeutics Inc. (US) 2017-02-22 EP disclosed
WO-2015160220-A1 GUANIDINE COMPOUNDS AND USE THEREOF HANALL BIOPHARMA CO., LTD. (KR) 2015-10-22 WO disclosed
US-6353122-B1 IN CYCLOHEXANONE WITH POTASSIUM PEROXYMONOSULFATE AND SUBSEQUENT REARRANGEMENT TO PROVIDE THE CORRESPONDING CYCLOBUTANONE BRISTOL-MYERS SQUIBB COMPANY 2002-03-05 US disclosed
CN-1082025-A 2 of two protections, the preparation method of 3-methylol cyclobutanol SQUIBB & SONS INC (US) 1994-02-16 CN disclosed
EP-0572209-A2 Process for preparing diprotected 2,3-hydroxymethyl cyclobutanol E.R. SQUIBB & SONS, INC. (US) 1993-12-01 EP disclosed
US-5237095-A Process for the preparation of an antiviral agent E. R. SQUIBB & SONS, INC. (US) 1993-08-17 US disclosed
US-5237096-A Process for the preparation of an antiviral agent E. R. SQUIBB & SONS, INC. (US) 1993-08-17 US disclosed
US-5233086-A Intermediates for the preparation of an antiviral agent E. R. SQUIBB & SONS, INC. (US) 1993-08-03 US disclosed
US-5218142-A Process for the preparation of an antiviral agent E. R. SQUIBB & SONS, INC. (US) 1993-06-08 US disclosed
EP-0535448-A2 Process and intermediates for the preparation of an antiviral agent containing a cyclobutyl group E.R. SQUIBB & SONS, INC. (US) 1993-04-07 EP disclosed
US-5185463-A PROCESS FOR THE PREPARATION OF AN ANTIVIRAL AGENT E. R. SQUIBB & SONS, INC. (US) 1993-02-09 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 (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-20170073331-A1 GUANIDINE COMPOUNDS AND USE THEREOF PC, TFAM, PCK2 PIN1 1818/4885CDK1 592/4885CCNB1 3063/4885

“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.