SCHEMBL8995752

SCHEMBL8995752

Nc1nc2[nH]cnc2c(=O)n1OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNP P00491 2/20 0.41
ALDH1A1 P00352 3/20 0.40
TSHR P16473 2/20 0.40
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CDK1 P06493 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CCNB1 P14635 1/20 0.39
MGMT P16455 1/20 0.39
NFKB1 P19838 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CYP2C19 P33261 1/20 0.39
BLM P54132 1/20 0.39
CCNA1 P78396 1/20 0.39
PMP22 Q01453 1/20 0.39
PIN1 Q13526 1/20 0.39
ALOX15 P16050 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
Hydrochloric Acid SCHEMBL17186403 0.99 PNP (0.40) PNPALDH1A1TSHRLMNACYP1A2
SCHEMBL17186531 0.81 MGMT (0.39) PNPALDH1A1TSHRLMNAMGMT
Hydrochloric Acid SCHEMBL18605765 0.80 MGMT (0.38) PNPALDH1A1TSHRLMNAMGMT
SCHEMBL7702158 0.80 PIN1 (0.53) PNPALDH1A1TSHRLMNACYP1A2
SCHEMBL17186554 0.79 CYP3A4 (0.39) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL18605740 0.79 PIN1 (0.52) PNPALDH1A1TSHRLMNACYP1A2
SCHEMBL8583444 0.79 KMT2A (0.42) PNPKDM4E
Hydrochloric Acid SCHEMBL17186641 0.78 CYP3A4 (0.38) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL18247 0.78 PNP (0.59) PNPALDH1A1ADORA3ADORA2BKDM4E
SCHEMBL1980958 0.77 PNP (0.57) PNPALDH1A1ADORA3ADORA2BKDM4E

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 10 patents. 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-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

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 PNP 292/4885ALDH1A1 1471/4885TSHR 4596/4885

“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.